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Reinvent4 ⭐ 150

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

Neural Plexer Pytorch ⭐ 37

Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, in Pytorch

Awesome Ls Ventures ⭐ 17

Awesome list of the data and AI/ML related projects with direct Life Science Companies participation

Decomp Opt Pytorch ⭐ 14

Implementation of DecompOpt - Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization - ICLR 2024

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