---
title: "Provenance-backed molecular model and benchmark enrichment batch."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.molecular-v2.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---

# Provenance-backed molecular model and benchmark enrichment batch.
resources:
  chemberta_2:
    entities: [molecule]
    methods: [language-model, self-supervised-learning, transformer]
    modalities: [chemical-structure]
    tasks: [representation-learning]
    github: https://github.com/seyonechithrananda/bert-loves-chemistry
    last_checked: 2026-08-08
    metadata_sources:
      - https://github.com/seyonechithrananda/bert-loves-chemistry

  molformer:
    entities: [molecule]
    methods: [language-model, self-supervised-learning, transformer]
    modalities: [chemical-structure]
    tasks: [representation-learning]
    github: https://github.com/IBM/molformer
    last_checked: 2026-08-08
    metadata_sources:
      - https://github.com/IBM/molformer

  grover:
    entities: [molecule]
    methods: [graph-neural-network, self-supervised-learning, transformer]
    modalities: [chemical-structure]
    tasks: [representation-learning]
    github: https://github.com/tencent-ailab/grover
    last_checked: 2026-08-08
    metadata_sources:
      - https://github.com/tencent-ailab/grover

  moleculenet:
    entities: [molecule]
    modalities: [chemical-structure]
    tasks: [classification, regression]
    github: https://github.com/deepchem/moleculenet
    last_checked: 2026-08-08
    metadata_sources:
      - https://github.com/deepchem/moleculenet

  guacamol:
    entities: [molecule]
    modalities: [chemical-structure]
    tasks: [molecular-generation]
    github: https://github.com/BenevolentAI/guacamol
    last_checked: 2026-08-08
    metadata_sources:
      - https://github.com/BenevolentAI/guacamol