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chemical-language-models

Here are 4 public repositories matching this topic...

junxia97 / awesome-pretrain-on-molecules

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

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

Updated Jun 17, 2023

CDDLeiden / PCMol

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

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

Updated Nov 19, 2024
Jupyter Notebook

molML / s4-for-de-novo-drug-design

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

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

Updated Aug 1, 2024
HTML

taoshen99 / AutoMolDesigner

The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.

graphical-user-interface automated-machine-learning molecular-property-prediction chemical-language-models

Updated Apr 26, 2024
Python

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