mayank-kohli

Pinned Repositories

PCAauto
PCAauto is a script developed to automate the PCA analysis of Molecular Dynamics.
Language:Python00
biosimspace
An interoperable Python framework for biomolecular simulation.
Language:Python86 8 14415
biosimspace_tutorials
A tutorials suite for BioSimSpace.
Language:Jupyter Notebook17 6 185
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++1.5k 83 2.8k526
poltype2
Poltype 2: Automated Parameterization and Free Energy Prediction for AMOEBA
Language:Python41 11 4612
tinker
Tinker: Software Tools for Molecular Design
Language:Fortran131 27 9861
tinker-hp
Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
Language:C81 13 2124
tinker9
Tinker9: Next Generation of Tinker with GPU Support
Language:C++48 8 16728

mayank-kohli/PCAauto
PCAauto is a script developed to automate the PCA analysis of Molecular Dynamics.
Language:Python00