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1. RNAPro RNAPro Public

   RNAPro is a state-of-the-art RNA 3D folding model developed in collaboration with the hosts and winners of the Stanford RNA 3D Folding Kaggle competition.

   Python 15 5

2. 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 260 28

3. nvMolKit nvMolKit Public

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

   Cuda 224 17

4. 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 148 19

5. CodonFM CodonFM Public

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

   Python 56 9

6. 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 63 8