63 lines
2.0 KiB
YAML
63 lines
2.0 KiB
YAML
---
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title: "Provenance-backed protein and drug-discovery enrichment batch."
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task: ""
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lineage_type: import
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upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.protein-drug-v1.yml
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upstream_sha: 7a064bf0
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imported_at: 2026-08-08
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prompt_class: catalogue
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upstream_changes: accepted
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author: upstream
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validated: false
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---
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# Provenance-backed protein and drug-discovery enrichment batch.
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resources:
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esmfold:
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entities: [protein]
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methods: [language-model, transformer]
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modalities: [molecular-structure, protein-sequence]
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tasks: [representation-learning, structure-prediction]
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year: 2023
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github: https://github.com/facebookresearch/esm
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last_checked: 2026-08-08
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metadata_sources:
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- https://github.com/facebookresearch/esm
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proteinmpnn:
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entities: [protein]
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methods: [graph-neural-network, message-passing-neural-network]
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modalities: [molecular-structure, protein-sequence]
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tasks: [protein-sequence-design]
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year: 2022
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github: https://github.com/dauparas/ProteinMPNN
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last_checked: 2026-08-08
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metadata_sources:
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- https://github.com/dauparas/ProteinMPNN
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diffdock:
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entities: [molecule, protein]
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methods: [diffusion, geometric-deep-learning]
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modalities: [molecular-structure]
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tasks: [docking]
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year: 2023
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github: https://github.com/gcorso/DiffDock
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paper: https://openreview.net/forum?id=kKF8_K-mBbS
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last_checked: 2026-08-08
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metadata_sources:
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- https://github.com/gcorso/DiffDock
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- https://openreview.net/forum?id=kKF8_K-mBbS
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uni_mol:
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entities: [molecule, protein]
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methods: [self-supervised-learning, transformer]
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modalities: [chemical-structure, molecular-structure]
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tasks: [docking, representation-learning]
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year: 2023
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github: https://github.com/deepmodeling/Uni-Mol
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paper: https://openreview.net/forum?id=6K2RM6wVqKu
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last_checked: 2026-08-08
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metadata_sources:
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- https://github.com/deepmodeling/Uni-Mol
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- https://openreview.net/forum?id=6K2RM6wVqKu
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