Ecosyste.ms: Repos
An open API service providing repository metadata for many open source software ecosystems.
GitHub topics: plumed
plumed/plumed2
Development version of plumed 2
Language: C++ - Size: 178 MB - Last synced: 7 days ago - Pushed: 7 days ago - Stars: 318 - Forks: 266
rebelot/schrodinger_utils
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Language: Python - Size: 448 KB - Last synced: 15 days ago - Pushed: 15 days ago - Stars: 15 - Forks: 7
plumed-nest/plumed-nest
The PLUMED-NEST repository
Language: Python - Size: 3.05 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 5 - Forks: 14
alec-glisman/Simulation-Two-Chain-PAA
Simulate interactions between two fully-charged PAA chains with varying amounts of CaCl2 added
Language: Shell - Size: 88.9 MB - Last synced: 3 months ago - Pushed: 6 months ago - Stars: 0 - Forks: 0
Ferg-Lab/pines
Permutationally invariant networks for enhanced sampling (PINES)
Language: C++ - Size: 26.3 MB - Last synced: 9 months ago - Pushed: 9 months ago - Stars: 1 - Forks: 0
sivadasetty/containers
singularity definitions of GROMACS
Language: Shell - Size: 19.5 KB - Last synced: 10 months ago - Pushed: 10 months ago - Stars: 2 - Forks: 1
sbhakat/colvar
A package that allows you to read COLVAR output from Plumed and access data
Language: Python - Size: 6.84 KB - Last synced: 10 months ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0
msultan/SML_CV
Using supervised machine learning to build collective variables for accelerated sampling
Language: Jupyter Notebook - Size: 140 MB - Last synced: about 1 year ago - Pushed: almost 6 years ago - Stars: 22 - Forks: 4
liyigerry/gmx
molecular dynamics simulation and analysis. 分子动力学模拟和分析。
Language: Jupyter Notebook - Size: 28.6 MB - Last synced: about 1 year ago - Pushed: over 4 years ago - Stars: 23 - Forks: 8
ajaymur91/CLIPS
Fast estimation of ion-pairing for screening electrolytes
Language: Shell - Size: 17.8 MB - Last synced: about 1 year ago - Pushed: almost 2 years ago - Stars: 9 - Forks: 0
msultan/tf_metadynamics
Using neural networks for enhanced sampling in computational biophysics
Language: Jupyter Notebook - Size: 53.2 MB - Last synced: about 1 year ago - Pushed: almost 7 years ago - Stars: 9 - Forks: 4
hejops/metadynamics
Run metadynamics simulations and analyse free energy surfaces
Language: Python - Size: 85 KB - Last synced: 12 months ago - Pushed: about 2 years ago - Stars: 1 - Forks: 0
weiHelloWorld/plumed_additional
Additional plumed plugins
Language: C++ - Size: 24.4 KB - Last synced: about 1 year ago - Pushed: over 4 years ago - Stars: 2 - Forks: 0
