MolCraftDiffusion Zoo — Models
Converted pretrained weights for 3D molecular generative models integrated into MolCraftDiffusion — pocket-conditioned design, conformer generation, bond-generating diffusion, fragment linking and metal-complex generation.
Assets are resolved by name, not by path. A config says
${asset:kgdiff/pretrained} and the platform fetches and caches it:
pip install molcraftdiffusion
MolCraftDiff zoo fetch --model kgdiff # pulls only what kgdiff needs
MolCraftDiff generate examples/kgdiff_generate.yaml
Files land in $MOLCRAFT_ASSETS (default ~/.cache/molcraft/zoo), laid out
exactly as the paths below. This repo is private; set HF_TOKEN (or run
hf auth login) before fetching.
Code: https://github.com/pregHosh/MolCraftDiffusion
Checkpoints
| model | variant | asset | size | licence | hosted here |
|---|---|---|---|---|---|
| apo2mol | default | apo2mol/pretrained |
14.3 MB | MIT | yes |
| apo2mol | pminet | apo2mol/pminet |
2.0 MB | MIT | yes |
| diffdec | default | diffdec/pretrained |
5.7 MB | MIT | yes |
| diffint | default | diffint/pretrained |
18.5 MB | MIT | yes |
| diffpharma | default | diffpharma/pretrained |
77.8 MB | MIT | yes |
| diffsbdd | fullatom_cond | diffsbdd/fullatom_cond |
4.6 MB | MIT | yes |
| diffsbdd | fullatom_joint | diffsbdd/fullatom_joint |
4.6 MB | MIT | yes |
| diffsbdd | fullatom_joint_moad | diffsbdd/fullatom_joint_moad |
10.7 MB | MIT | yes |
| diffsmol | default | diffsmol/pretrained |
30.4 MB | PolyForm-Noncommercial-1.0.0 | no - build locally |
| ditmc | ape | ditmc/ape |
36.5 MB | none (all rights reserved) | no - build locally |
| ditmc | rpe | ditmc/rpe |
36.5 MB | none (all rights reserved) | no - build locally |
| ditmc | so3 | ditmc/so3 |
32.8 MB | none (all rights reserved) | no - build locally |
| equifm | default | equifm/pretrained |
20.4 MB | none (all rights reserved) | no - build locally |
| flowmol_graph3d | default | flowmol_graph3d/pretrained |
22.5 MB | MIT | yes |
| gcdm | geom_uncond | gcdm/geom_uncond |
10.5 MB | MIT | yes |
| gcdm | qm9_alpha | gcdm/qm9_alpha |
24.0 MB | MIT | yes |
| gcdm | qm9_uncond | gcdm/qm9_uncond |
23.9 MB | MIT | yes |
| ipdiff | default | ipdiff/pretrained |
13.4 MB | MIT | yes |
| ipdiff | ipnet | ipdiff/ipnet |
2.3 MB | MIT | yes |
| kgdiff | default | kgdiff/pretrained |
11.0 MB | MIT | yes |
| ligandiff | default | ligandiff/pretrained |
12.3 MB | MIT | yes |
| ligandiff_multi | default | ligandiff_multi/pretrained |
12.3 MB | MIT | yes |
| loqi | flow | loqi/flow |
69.4 MB | MIT | yes |
| loqi | pretrained | loqi/pretrained |
69.4 MB | MIT | yes |
| midi | default | midi/pretrained |
92.1 MB | MIT | yes |
| nextmol | default | nextmol/pretrained |
212.9 MB | none (all rights reserved) | no - build locally |
| nextmol | mollama | nextmol/mollama |
1.8 GB | none declared; Llama-derived | no - build locally |
| pmdm | default | pmdm/pretrained |
18.6 MB | none (all rights reserved) | no - build locally |
Not hosted here
Some upstream repos grant no redistribution licence. Those checkpoints are
listed above as build locally: the manifest ships the upstream URL, the
conversion script and the expected sha256, so you can reproduce them
byte-for-byte and MolCraftDiff zoo verify will confirm it.
MolCraftDiff zoo recipe ditmc/so3
Attribution
Each checkpoint derives from its upstream project, retains that project's
licence as listed, and is redistributed here only where that licence permits.
See each model's card in the client package (MolCraftDiff zoo card <model>)
for the upstream repository, commit and conversion provenance.