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1. CodonFM CodonFM Public

   A family of codon-resolution language models trained on 130 million protein-coding sequences from over 20,000 species.

   Python 50 6

2. KERMT KERMT Public

   KERMT is a pretrained graph neural network model for molecular property prediction.

   Python 33 6

3. ReaSyn ReaSyn Public

   ReaSyn is a model for predicting a molecule's synthesis pathway, reaction steps from building blocks to final product(s), using an encoder-decoder Transformer and a Chain-of-Reaction (CoR) notation.

   Python 52 8

4. la-proteina la-proteina Public

   A partially latent flow matching model for the joint generation of a protein’s amino acid sequence and full atomistic structure, including both the backbone and side chain.

   Python 237 25

5. nvMolKit nvMolKit Public

   A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, and geometry relaxation.

   Cuda 212 17

6. genmol genmol Public

   GenMol is a generative AI model for creating novel molecules. It utilizes masked discrete diffusion and fragment-based generation to create valid molecules, which are encoded in the SAFE molecular …

   Python 119 15