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unknown

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[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

gnns survey awesome molecule finetuning drug-discovery transfer-learning computational-chemistry chemical-language-models self-supervised-learning graph-representation-learning drug-discovery-and-development molecular-representation-learning

Created 2021-12-10

94 commits to main branch, last one about a year ago

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mit

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The official codebase of the paper "Chemical language modeling with structured state space sequence models"

s4 chemistry deep-learning smiles-strings cheminformatics state-space-models de-novo-drug-design chemical-language-models

Created 2023-09-21

17 commits to main branch, last one 3 months ago

4

52

mit

6

Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.

alphafold drug-discovery cheminformatics proteochemometrics de-novo-drug-design protein-language-models chemical-language-models

Created 2024-01-23

45 commits to main branch, last one 2 days ago