Project Overview

<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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Design documents

Projects board

Software

GitHub - choderalab/modelforge: Infrastructure to implement and train NNPs

choderalab/auditorium

Meeting Notes

General Meeting Notes

Weekly meetings

Chris / Marcus sync

Updates



Ongoing Work

Ongoing Experiments/Studies



References

Literature Review

[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)


Pre-Prints/Publications


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