63 lines
2.0 KiB
YAML
63 lines
2.0 KiB
YAML
---
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title: "Provenance-backed molecular model and benchmark 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.molecular-v2.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 molecular model and benchmark enrichment batch.
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resources:
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chemberta_2:
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entities: [molecule]
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methods: [language-model, self-supervised-learning, transformer]
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modalities: [chemical-structure]
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tasks: [representation-learning]
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github: https://github.com/seyonechithrananda/bert-loves-chemistry
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last_checked: 2026-08-08
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metadata_sources:
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- https://github.com/seyonechithrananda/bert-loves-chemistry
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molformer:
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entities: [molecule]
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methods: [language-model, self-supervised-learning, transformer]
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modalities: [chemical-structure]
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tasks: [representation-learning]
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github: https://github.com/IBM/molformer
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last_checked: 2026-08-08
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metadata_sources:
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- https://github.com/IBM/molformer
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grover:
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entities: [molecule]
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methods: [graph-neural-network, self-supervised-learning, transformer]
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modalities: [chemical-structure]
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tasks: [representation-learning]
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github: https://github.com/tencent-ailab/grover
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last_checked: 2026-08-08
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metadata_sources:
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- https://github.com/tencent-ailab/grover
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moleculenet:
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entities: [molecule]
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modalities: [chemical-structure]
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tasks: [classification, regression]
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github: https://github.com/deepchem/moleculenet
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last_checked: 2026-08-08
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metadata_sources:
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- https://github.com/deepchem/moleculenet
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guacamol:
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entities: [molecule]
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modalities: [chemical-structure]
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tasks: [molecular-generation]
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github: https://github.com/BenevolentAI/guacamol
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last_checked: 2026-08-08
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metadata_sources:
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- https://github.com/BenevolentAI/guacamol
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