MD-CLUB
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i-pi
i-pi PublicForked from i-pi/i-pi-archive
A Python wrapper for (ab initio) (path integrals) molecular dynamics
Python
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AmberFF_tRNA
AmberFF_tRNA PublicForked from juvion/AmberFF_tRNA
Amber force field parameters (based on ff99) for tRNAs
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mdtraj
mdtraj PublicForked from mdtraj/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
C
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gmonitor
gmonitor PublicForked from mountassir/gmonitor
gmonitor is a GPU monitor (Nvidia only at the moment)
C++
Repositories
- MD-TASK Public Forked from RUBi-ZA/MD-TASK
Tool suite for analysing molecular dynamics trajectories using network analysis and PRS
MD-CLUB/MD-TASK’s past year of commit activity - software-development Public Forked from choderalab/software-development
A primer on software development best practices for computational chemistry
MD-CLUB/software-development’s past year of commit activity - nglview Public Forked from nglviewer/nglview
IPython widget to interactively view molecular structures and trajectories
MD-CLUB/nglview’s past year of commit activity - openpathsampling Public Forked from openpathsampling/openpathsampling
An open source Python framework for transition interface and path sampling calculations.
MD-CLUB/openpathsampling’s past year of commit activity - ddPCM Public Forked from filippolipparini/ddPCM
A fast domain decomposition based implementation of the COSMO solvation model
MD-CLUB/ddPCM’s past year of commit activity - barnaba Public Forked from srnas/barnaba
Analyse Nucleic Acids Structure and Simulations with baRNAba
MD-CLUB/barnaba’s past year of commit activity
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