---
title: "Provenance-backed protein and drug-discovery enrichment batch."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.protein-drug-v1.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---

# Provenance-backed protein and drug-discovery enrichment batch.
resources:
  esmfold:
    entities: [protein]
    methods: [language-model, transformer]
    modalities: [molecular-structure, protein-sequence]
    tasks: [representation-learning, structure-prediction]
    year: 2023
    github: https://github.com/facebookresearch/esm
    last_checked: 2026-08-08
    metadata_sources:
      - https://github.com/facebookresearch/esm

  proteinmpnn:
    entities: [protein]
    methods: [graph-neural-network, message-passing-neural-network]
    modalities: [molecular-structure, protein-sequence]
    tasks: [protein-sequence-design]
    year: 2022
    github: https://github.com/dauparas/ProteinMPNN
    last_checked: 2026-08-08
    metadata_sources:
      - https://github.com/dauparas/ProteinMPNN

  diffdock:
    entities: [molecule, protein]
    methods: [diffusion, geometric-deep-learning]
    modalities: [molecular-structure]
    tasks: [docking]
    year: 2023
    github: https://github.com/gcorso/DiffDock
    paper: https://openreview.net/forum?id=kKF8_K-mBbS
    last_checked: 2026-08-08
    metadata_sources:
      - https://github.com/gcorso/DiffDock
      - https://openreview.net/forum?id=kKF8_K-mBbS

  uni_mol:
    entities: [molecule, protein]
    methods: [self-supervised-learning, transformer]
    modalities: [chemical-structure, molecular-structure]
    tasks: [docking, representation-learning]
    year: 2023
    github: https://github.com/deepmodeling/Uni-Mol
    paper: https://openreview.net/forum?id=6K2RM6wVqKu
    last_checked: 2026-08-08
    metadata_sources:
      - https://github.com/deepmodeling/Uni-Mol
      - https://openreview.net/forum?id=6K2RM6wVqKu