A deep learning framework for molecular docking
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Updated
May 15, 2024 - C++
A deep learning framework for molecular docking
High-performance operations for neural network potentials
Tinker9: Next Generation of Tinker with GPU Support
Modern and fast molecular analysis and modeling library for C++ and Python
Program that implements assembling and disassembling of microtubules
pmUE (Protein Modelling Unreal Engine) - a repo for constructing a molecule visualizer plugin in Unreal
High-performance operations for neural network potentials
Code to generate randomised initial periodic molecular structure with 2 molecule types for MD simulations
Simple Simulation Engine computational chemistry
A suite of tools to help with molecular simulations/analysis
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