Update to the 2026-10-15 unified release (147-class, latent 32)
Browse filesConverted from nvidia/RFD4-Proteina at 976e0c90 (weights_sha256 5f00cdcd...) with converter revision 0291146a. The sampler recipe is read from the RFD4 repository's own configs/generation/inference_base.yaml rather than a transcribed default, so the scheduler records tsr_matched_noise, t_lim_ode 0.95 and tsr_sigma 12.0. Requires the unreleased rfd4-unified-checkpoint branch and the matching prep package; the existing example outputs are from the previous release and will not reproduce.
- README.md +15 -0
- autoencoder/config.json +5791 -296
- autoencoder/diffusion_pytorch_model.safetensors +2 -2
- provenance.json +10 -6
- scheduler/scheduler_config.json +16 -6
- transformer/config.json +7 -3
- transformer/diffusion_pytorch_model.safetensors +2 -2
README.md
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<sub>Examples from the project, as shown on the [original model card](https://huggingface.co/nvidia/RFD4-Proteina).</sub>
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## At a glance
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| | Details |
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<sub>Examples from the project, as shown on the [original model card](https://huggingface.co/nvidia/RFD4-Proteina).</sub>
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> ### This release requires unreleased Diffusers support
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>
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> These weights are the **2026-10-15 unified release**: a 147-class residue vocabulary and a
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> 32-dimensional latent, with `tsr_matched_noise` and the refreshed sampler recipe. Support for
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> them is not in a released Diffusers version yet — it lives on branch `rfd4-unified-checkpoint`
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> (`0291146a`) of `huggingface/diffusers-new-model-addition-RFD4-Proteina`. An older Diffusers
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> will fail to load this repository rather than sample it incorrectly.
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>
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> You also need the matching [`nvidia/RFD4-Proteina-prep`](https://huggingface.co/nvidia/RFD4-Proteina-prep),
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> which supplies the chirality and element features this checkpoint's encoder requires.
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>
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> **The `examples/*/design.cif` outputs were generated with the previous release** and are kept
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> for reference. They will not reproduce under these weights: the model, the vocabulary and the
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> sampler recipe all changed. The `input.cif` files remain valid.
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## At a glance
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| | Details |
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autoencoder/config.json
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"_class_name": "RFD4ProteinaAutoencoder",
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"_diffusers_version": "0.41.0.dev0",
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"abs_coors": false,
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-
true,
|
| 753 |
-
true,
|
| 754 |
false,
|
| 755 |
false,
|
| 756 |
false,
|
| 757 |
false,
|
| 758 |
false,
|
| 759 |
false,
|
| 760 |
-
true,
|
| 761 |
-
true,
|
| 762 |
false,
|
| 763 |
false,
|
| 764 |
false,
|
| 765 |
false,
|
| 766 |
false,
|
|
|
|
|
|
|
|
|
|
| 767 |
false,
|
| 768 |
true,
|
| 769 |
true,
|
| 770 |
-
false,
|
| 771 |
-
false,
|
| 772 |
-
false,
|
| 773 |
-
false,
|
| 774 |
-
false,
|
| 775 |
-
false,
|
| 776 |
-
false,
|
| 777 |
-
false,
|
| 778 |
-
false,
|
| 779 |
true,
|
| 780 |
true,
|
| 781 |
-
false,
|
| 782 |
-
false,
|
| 783 |
-
false,
|
| 784 |
-
false
|
| 785 |
-
],
|
| 786 |
-
[
|
| 787 |
true,
|
| 788 |
true,
|
| 789 |
true,
|
| 790 |
true,
|
| 791 |
true,
|
| 792 |
-
|
|
|
|
|
|
|
|
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| 793 |
true,
|
| 794 |
true,
|
| 795 |
false,
|
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| 796 |
false,
|
| 797 |
false,
|
| 798 |
false,
|
|
@@ -801,28 +6057,160 @@
|
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| 801 |
false,
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| 802 |
false,
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| 803 |
false,
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| 804 |
false,
|
| 805 |
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| 806 |
false,
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| 807 |
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| 809 |
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| 810 |
false,
|
| 811 |
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| 812 |
false,
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| 813 |
false,
|
| 814 |
false,
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| 815 |
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| 816 |
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|
| 817 |
false,
|
| 818 |
-
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|
| 819 |
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|
| 820 |
-
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|
| 821 |
-
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|
| 822 |
-
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|
| 823 |
-
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|
| 824 |
-
],
|
| 825 |
-
[
|
| 826 |
false,
|
| 827 |
false,
|
| 828 |
false,
|
|
@@ -831,22 +6219,46 @@
|
|
| 831 |
false,
|
| 832 |
false,
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| 833 |
false,
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| 834 |
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| 835 |
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| 836 |
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| 837 |
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| 838 |
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| 839 |
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| 840 |
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| 841 |
false,
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| 842 |
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| 843 |
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| 844 |
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| 845 |
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| 846 |
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| 848 |
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| 849 |
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| 850 |
false,
|
| 851 |
false,
|
| 852 |
false,
|
|
@@ -857,9 +6269,10 @@
|
|
| 857 |
false,
|
| 858 |
false,
|
| 859 |
false,
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| 860 |
false,
|
| 861 |
false,
|
| 862 |
-
|
| 863 |
],
|
| 864 |
[
|
| 865 |
true,
|
|
@@ -869,13 +6282,7 @@
|
|
| 869 |
true,
|
| 870 |
true,
|
| 871 |
true,
|
| 872 |
-
|
| 873 |
-
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|
| 874 |
-
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|
| 875 |
-
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|
| 876 |
-
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|
| 877 |
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|
| 878 |
-
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|
| 879 |
true,
|
| 880 |
true,
|
| 881 |
true,
|
|
@@ -898,7 +6305,13 @@
|
|
| 898 |
false,
|
| 899 |
false,
|
| 900 |
false,
|
| 901 |
-
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|
|
| 902 |
],
|
| 903 |
[
|
| 904 |
true,
|
|
@@ -925,19 +6338,19 @@
|
|
| 925 |
false,
|
| 926 |
false,
|
| 927 |
false,
|
| 928 |
-
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|
| 929 |
-
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|
| 930 |
-
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|
| 931 |
-
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|
| 932 |
-
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|
| 933 |
-
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|
| 934 |
-
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|
| 935 |
-
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|
| 936 |
false,
|
| 937 |
false,
|
| 938 |
false,
|
| 939 |
false,
|
| 940 |
-
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|
|
| 941 |
],
|
| 942 |
[
|
| 943 |
true,
|
|
@@ -952,18 +6365,7 @@
|
|
| 952 |
true,
|
| 953 |
true,
|
| 954 |
true,
|
| 955 |
-
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|
| 956 |
-
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|
| 957 |
-
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|
| 958 |
-
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|
| 959 |
-
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|
| 960 |
-
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|
| 961 |
-
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|
| 962 |
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|
| 963 |
-
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|
| 964 |
false,
|
| 965 |
-
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|
| 966 |
-
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|
| 967 |
false,
|
| 968 |
false,
|
| 969 |
false,
|
|
@@ -976,7 +6378,18 @@
|
|
| 976 |
false,
|
| 977 |
false,
|
| 978 |
false,
|
| 979 |
-
|
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|
|
| 980 |
],
|
| 981 |
[
|
| 982 |
true,
|
|
@@ -990,7 +6403,6 @@
|
|
| 990 |
true,
|
| 991 |
true,
|
| 992 |
true,
|
| 993 |
-
true,
|
| 994 |
false,
|
| 995 |
false,
|
| 996 |
false,
|
|
@@ -1003,19 +6415,20 @@
|
|
| 1003 |
false,
|
| 1004 |
false,
|
| 1005 |
false,
|
| 1006 |
-
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|
| 1007 |
-
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|
| 1008 |
-
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|
| 1009 |
-
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|
| 1010 |
-
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|
| 1011 |
-
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|
| 1012 |
-
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|
| 1013 |
false,
|
| 1014 |
-
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|
| 1015 |
false,
|
| 1016 |
false,
|
| 1017 |
false,
|
| 1018 |
-
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|
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|
|
| 1019 |
],
|
| 1020 |
[
|
| 1021 |
true,
|
|
@@ -1057,16 +6470,6 @@
|
|
| 1057 |
false
|
| 1058 |
],
|
| 1059 |
[
|
| 1060 |
-
true,
|
| 1061 |
-
true,
|
| 1062 |
-
true,
|
| 1063 |
-
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|
| 1064 |
-
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|
| 1065 |
-
true,
|
| 1066 |
-
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|
| 1067 |
-
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|
| 1068 |
-
true,
|
| 1069 |
-
true,
|
| 1070 |
true,
|
| 1071 |
true,
|
| 1072 |
true,
|
|
@@ -1093,13 +6496,23 @@
|
|
| 1093 |
false,
|
| 1094 |
false,
|
| 1095 |
false,
|
| 1096 |
-
|
|
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|
|
|
|
|
| 1097 |
],
|
| 1098 |
[
|
| 1099 |
true,
|
| 1100 |
true,
|
| 1101 |
true,
|
| 1102 |
-
|
| 1103 |
true,
|
| 1104 |
true,
|
| 1105 |
true,
|
|
@@ -1120,34 +6533,36 @@
|
|
| 1120 |
false,
|
| 1121 |
false,
|
| 1122 |
false,
|
| 1123 |
-
true,
|
| 1124 |
-
true,
|
| 1125 |
-
true,
|
| 1126 |
-
true,
|
| 1127 |
-
true,
|
| 1128 |
-
true,
|
| 1129 |
-
true,
|
| 1130 |
-
true,
|
| 1131 |
false,
|
| 1132 |
false,
|
| 1133 |
false,
|
| 1134 |
false,
|
| 1135 |
-
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1136 |
],
|
| 1137 |
[
|
| 1138 |
true,
|
| 1139 |
true,
|
| 1140 |
true,
|
| 1141 |
-
false,
|
| 1142 |
-
true,
|
| 1143 |
true,
|
| 1144 |
true,
|
| 1145 |
true,
|
|
|
|
| 1146 |
true,
|
|
|
|
| 1147 |
true,
|
|
|
|
| 1148 |
true,
|
| 1149 |
true,
|
| 1150 |
true,
|
|
|
|
| 1151 |
true,
|
| 1152 |
true,
|
| 1153 |
true,
|
|
@@ -1156,7 +6571,6 @@
|
|
| 1156 |
true,
|
| 1157 |
true,
|
| 1158 |
true,
|
| 1159 |
-
false,
|
| 1160 |
true,
|
| 1161 |
true,
|
| 1162 |
false,
|
|
@@ -1170,10 +6584,13 @@
|
|
| 1170 |
false,
|
| 1171 |
false,
|
| 1172 |
false,
|
| 1173 |
-
false
|
| 1174 |
-
true
|
| 1175 |
],
|
| 1176 |
[
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1177 |
true,
|
| 1178 |
true,
|
| 1179 |
true,
|
|
@@ -1198,25 +6615,60 @@
|
|
| 1198 |
false,
|
| 1199 |
false,
|
| 1200 |
false,
|
|
|
|
|
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|
|
|
|
|
|
|
| 1201 |
true,
|
| 1202 |
true,
|
| 1203 |
true,
|
| 1204 |
true,
|
|
|
|
| 1205 |
true,
|
| 1206 |
true,
|
| 1207 |
true,
|
| 1208 |
-
false,
|
| 1209 |
true,
|
| 1210 |
true,
|
| 1211 |
false,
|
| 1212 |
false,
|
| 1213 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1214 |
],
|
| 1215 |
[
|
| 1216 |
true,
|
| 1217 |
true,
|
| 1218 |
true,
|
| 1219 |
-
|
| 1220 |
true,
|
| 1221 |
true,
|
| 1222 |
true,
|
|
@@ -1252,8 +6704,23 @@
|
|
| 1252 |
false
|
| 1253 |
],
|
| 1254 |
[
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1255 |
false,
|
| 1256 |
true,
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1257 |
false,
|
| 1258 |
false,
|
| 1259 |
false,
|
|
@@ -1273,6 +6740,30 @@
|
|
| 1273 |
false,
|
| 1274 |
false,
|
| 1275 |
false,
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1276 |
false,
|
| 1277 |
false,
|
| 1278 |
false,
|
|
@@ -1302,13 +6793,17 @@
|
|
| 1302 |
"token_type",
|
| 1303 |
"x1_a37coors_nm",
|
| 1304 |
"x1_a37coors_nm_rel",
|
| 1305 |
-
"chain_idx_seq"
|
|
|
|
|
|
|
| 1306 |
],
|
| 1307 |
-
"latent_dim":
|
| 1308 |
-
"n_residue_types":
|
| 1309 |
"nheads": 12,
|
| 1310 |
"nlayers": 12,
|
|
|
|
| 1311 |
"pair_repr_dim": 256,
|
|
|
|
| 1312 |
"token_dim": 768,
|
| 1313 |
"token_type_emb_dim": 32
|
| 1314 |
}
|
|
|
|
| 2 |
"_class_name": "RFD4ProteinaAutoencoder",
|
| 3 |
"_diffusers_version": "0.41.0.dev0",
|
| 4 |
"abs_coors": false,
|
| 5 |
+
"allowed_residue_types": [
|
| 6 |
[
|
| 7 |
false,
|
| 8 |
+
true,
|
| 9 |
+
true,
|
| 10 |
+
true,
|
| 11 |
+
true,
|
| 12 |
+
true,
|
| 13 |
+
true,
|
| 14 |
+
true,
|
| 15 |
+
true,
|
| 16 |
+
true,
|
| 17 |
+
true,
|
| 18 |
+
true,
|
| 19 |
+
true,
|
| 20 |
+
true,
|
| 21 |
+
true,
|
| 22 |
+
true,
|
| 23 |
+
true,
|
| 24 |
+
true,
|
| 25 |
+
true,
|
| 26 |
+
true,
|
| 27 |
+
true,
|
| 28 |
+
true,
|
| 29 |
false,
|
| 30 |
false,
|
| 31 |
false,
|
|
|
|
| 61 |
false,
|
| 62 |
false,
|
| 63 |
false,
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 64 |
false,
|
| 65 |
false,
|
| 66 |
false,
|
|
|
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autoencoder/diffusion_pytorch_model.safetensors
CHANGED
|
@@ -1,3 +1,3 @@
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|
| 1 |
version https://git-lfs.github.com/spec/v1
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| 2 |
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size 1028799188
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provenance.json
CHANGED
|
@@ -1,13 +1,17 @@
|
|
| 1 |
{
|
| 2 |
"source_model": "nvidia/RFD4-Proteina",
|
| 3 |
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| 7 |
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| 9 |
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|
| 10 |
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|
| 11 |
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| 12 |
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|
|
|
|
|
|
|
| 13 |
}
|
|
|
|
| 1 |
{
|
| 2 |
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|
| 3 |
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|
| 7 |
"weights": "EMA, float32; the fused query/key/value projections are split, every other tensor is unchanged",
|
| 8 |
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"sampler_recipe": "released: configs/generation/inference_base.yaml at RFD4-Proteina-dev 63ae4ff0cc26",
|
| 9 |
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|
| 10 |
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|
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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|
| 17 |
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|
scheduler/scheduler_config.json
CHANGED
|
@@ -4,7 +4,9 @@
|
|
| 4 |
"model_args": {
|
| 5 |
"bb_ca": {
|
| 6 |
"gt": {
|
| 7 |
-
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|
|
|
|
|
|
|
| 8 |
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|
| 9 |
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|
| 10 |
"mode": "log",
|
|
@@ -13,17 +15,22 @@
|
|
| 13 |
"tail_steps": 10
|
| 14 |
},
|
| 15 |
"simulation_step_params": {
|
|
|
|
|
|
|
| 16 |
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|
| 17 |
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|
| 18 |
-
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|
| 19 |
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|
| 20 |
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|
|
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
"gt": {
|
| 26 |
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|
|
|
|
|
|
| 27 |
},
|
| 28 |
"schedule": {
|
| 29 |
"mode": "power",
|
|
@@ -32,12 +39,15 @@
|
|
| 32 |
"tail_steps": 10
|
| 33 |
},
|
| 34 |
"simulation_step_params": {
|
|
|
|
|
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|
| 35 |
"sc_scale_noise": 0.1,
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
-
"
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|
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|
| 41 |
}
|
| 42 |
}
|
| 43 |
},
|
|
@@ -54,7 +64,7 @@
|
|
| 54 |
"zero_com_noise": true
|
| 55 |
},
|
| 56 |
"local_latents": {
|
| 57 |
-
"dim":
|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
+
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"tsr_matched_noise": true,
|
| 26 |
"tsr_sigma": 3.0
|
| 27 |
}
|
| 28 |
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|
| 29 |
"local_latents": {
|
| 30 |
"gt": {
|
| 31 |
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"clamp_val": null,
|
| 32 |
+
"mode": "tan",
|
| 33 |
+
"p": 1.0
|
| 34 |
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|
| 35 |
"schedule": {
|
| 36 |
"mode": "power",
|
|
|
|
| 39 |
"tail_steps": 10
|
| 40 |
},
|
| 41 |
"simulation_step_params": {
|
| 42 |
+
"center_every_step": false,
|
| 43 |
+
"sampling_mode": "vf_tsr",
|
| 44 |
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|
| 45 |
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|
| 46 |
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"t_lim_ode": 0.95,
|
| 47 |
"t_lim_ode_below": 0.02,
|
| 48 |
"tsr_k": 4.0,
|
| 49 |
+
"tsr_matched_noise": true,
|
| 50 |
+
"tsr_sigma": 12.0
|
| 51 |
}
|
| 52 |
}
|
| 53 |
},
|
|
|
|
| 64 |
"zero_com_noise": true
|
| 65 |
},
|
| 66 |
"local_latents": {
|
| 67 |
+
"dim": 32,
|
| 68 |
"guidance_enabled": true,
|
| 69 |
"stochastic_centering_mode": "none",
|
| 70 |
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transformer/config.json
CHANGED
|
@@ -7,7 +7,7 @@
|
|
| 7 |
"time_emb_bb_ca",
|
| 8 |
"time_emb_local_latents",
|
| 9 |
"cath_code",
|
| 10 |
-
"
|
| 11 |
],
|
| 12 |
"feats_pair_cond": [
|
| 13 |
"time_emb_bb_ca",
|
|
@@ -48,12 +48,16 @@
|
|
| 48 |
"chirality",
|
| 49 |
"chain_centroid_xyz"
|
| 50 |
],
|
| 51 |
-
"latent_dim":
|
| 52 |
"nheads": 12,
|
| 53 |
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|
| 54 |
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|
|
|
|
|
|
|
|
|
| 55 |
"pair_repr_dim": 384,
|
| 56 |
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|
|
|
|
| 57 |
"seq_sep_dim": 64,
|
| 58 |
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|
| 59 |
"t_emb_dim": 256,
|
|
|
|
| 7 |
"time_emb_bb_ca",
|
| 8 |
"time_emb_local_latents",
|
| 9 |
"cath_code",
|
| 10 |
+
"recycle_remaining"
|
| 11 |
],
|
| 12 |
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|
| 13 |
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|
|
|
|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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|
transformer/diffusion_pytorch_model.safetensors
CHANGED
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@@ -1,3 +1,3 @@
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|
| 1 |
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