<aside> 👉 This project aims to create a new biomolecular simulation engine that is fully differentiable and exploits highly useful abstractions that make it easy for developers to explore the next generation of molecular simulation and modeling algorithms for drug discovery.
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GitHub - choderalab/modelforge: Infrastructure to implement and train NNPs
[Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements](https://choderalab.notion.site/Towards-universal-neural-network-potential-for-material-discovery-applicable-to-arbitrary-combinatio-fbe9108a8ae440199002badec9453a8c)
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