Gaedecke/MACE-catalyst
Updated
Kelian Gaedecke
Gaedecke
·
AI & ML interests
Machine-Learned potentials, chemistry/physics based
Recent Activity
new activity 25 days ago
pregH/molcraft-zoo-data:Add MOSES-aq as an ASE database (1,584,651 molecules) new activity 26 days ago
pregH/molcraft-zoo-data:Add ShEPhERD-2 conditioning inputs and reference corpora new activity 26 days ago
pregH/molcraft-zoo-data:Add MOSES-aq HDF5 training corpus (5 shards)Organizations
Add MOSES-aq as an ASE database (1,584,651 molecules)
#3 opened 25 days ago
by Gaedecke
Add ShEPhERD-2 conditioning inputs and reference corpora
1
#1 opened 26 days ago
by Gaedecke
Add MOSES-aq HDF5 training corpus (5 shards)
#2 opened 26 days ago
by Gaedecke
Add ShEPhERD-2 pretrained checkpoint
#1 opened 26 days ago
by Gaedecke
Upload 4 files
#17 opened 3 months ago
by 
Gaedecke
Upload 2 files
#13 opened 7 months ago
by Gaedecke
Upload MACE-FT-MH_e_w=1.0-f_w=10.0_cpu.model
#12 opened 7 months ago
by Gaedecke
Upload MACE-FT-MH_e_w=1.0-f_w=10.0.model
#11 opened 7 months ago
by Gaedecke
Uploading multi-head replay model
#10 opened 7 months ago
by Gaedecke
Upload MACE_NO_FT_test_cpu.model
#9 opened 7 months ago
by Gaedecke
Upload 2 files
1
#8 opened 8 months ago
by Gaedecke
Upload MACE-e_w=1.0-f_w=1.0_EOs_epoch=50_cpu.model
#7 opened 9 months ago
by Gaedecke
Upload MACE_NO_FT_test_cpu.model
#6 opened 9 months ago
by Gaedecke
Upload MACE_NO_FT_test.model
#5 opened 9 months ago
by Gaedecke
updated a
model 9 months ago
published a
model 9 months ago
Upload 20521 files
#4 opened 9 months ago
by Gaedecke
Upload 13 files
1
#3 opened 9 months ago
by Gaedecke
Upload MACE_finetune_bigger_f=10_e=1_EOs_epoch=100_on_cpu.model
#2 opened 9 months ago
by Gaedecke
Upload MACE_finetune_bigger_f=10_e=1_EOs_epoch=100.model
#1 opened 10 months ago
by Gaedecke