A deep learning framework for molecular docking
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Updated
Sep 23, 2024 - C++
A deep learning framework for molecular docking
Tinker9: Next Generation of Tinker with GPU Support
High-performance operations for neural network potentials
Modern and fast molecular analysis and modeling library for C++ and Python
pmUE (Protein Modelling Unreal Engine) - a repo for constructing a molecule visualizer plugin in Unreal
Program that implements assembling and disassembling of microtubules
Code to generate randomised initial periodic molecular structure with 2 molecule types for MD simulations
High-performance operations for neural network potentials
Simple Simulation Engine computational chemistry
Repository for molar crate and its dependencies
A suite of tools to help with molecular simulations/analysis
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