| # webLigandMPNN model assets |
|
|
| Browser-ready ONNX bundles for the unofficial |
| [`webLigandMPNN`](https://github.com/MurrellGroup/webLigandMPNN) port. These |
| files were converted from checkpoints trained and released by the original |
| [`dauparas/LigandMPNN`](https://github.com/dauparas/LigandMPNN) authors. |
| MurrellLab performed the web conversion and did not train the models. |
|
|
| ## Layout |
|
|
| `models/` contains four LigandMPNN sequence models and the learned side-chain |
| packer: |
|
|
| - `ligandmpnn_v_32_005_25` |
| - `ligandmpnn_v_32_010_25` (default sequence model) |
| - `ligandmpnn_v_32_020_25` |
| - `ligandmpnn_v_32_030_25` |
| - `ligandmpnn_sc_v_32_002_16` (side-chain packer) |
|
|
| Each directory is a self-contained web bundle. `manifest.json` lists the files |
| needed at runtime and records their sizes and SHA-256 hashes. Additional parity |
| and validation JSON files document the conversion checks. `catalog.json` |
| indexes every hosted file and its digest. No original PyTorch `.pt` checkpoint |
| is included. |
|
|
| ## Provenance and licenses |
|
|
| `upstream.lock.json` pins upstream LigandMPNN revision |
| `26ec57ac976ade5379920dbd43c7f97a91cf82de` and records the original checkpoint |
| hashes and source URLs without redistributing those checkpoint files. The |
| LigandMPNN license is included in every bundle. The packing bundle also retains |
| the Apache-2.0 license and notice for geometry derived from OpenFold constants. |
|
|
| See `THIRD_PARTY_NOTICES.md` and the source repository documentation for full |
| attribution, validation scope, API usage, and scientific limitations. |
|
|
