Ecosyste.ms: Repos
An open API service providing repository metadata for many open source software ecosystems.
GitHub topics: plumed2
ravenswing/mdsaps
Molecular Dynamics - Simulation Analysis and Preparation Suite
Language: Python - Size: 1.24 MB - Last synced: about 7 hours ago - Pushed: about 10 hours ago - Stars: 2 - Forks: 0
plumed/plumed2
Development version of plumed 2
Language: C++ - Size: 178 MB - Last synced: 19 days ago - Pushed: 19 days ago - Stars: 318 - Forks: 266
ravenswing/phd_tools
Auxiliary tools and scripts initially made for my PhD projects.
Language: Jupyter Notebook - Size: 167 MB - Last synced: 20 days ago - Pushed: 20 days ago - Stars: 1 - Forks: 0
tonigi/plumed2-automatic-gradients
How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation
Language: C++ - Size: 89.1 MB - Last synced: 10 months ago - Pushed: almost 5 years ago - Stars: 4 - Forks: 1
Iximiel/PlumedFlagship_parallelism
Short and simple introduction to developing parallel CVs in plumed2
Language: C++ - Size: 183 KB - Last synced: 10 months ago - Pushed: 11 months ago - Stars: 0 - Forks: 0
zwpku/torchann-plumed
Torch artificial neural network function for plumed2
Language: C++ - Size: 43 KB - Last synced: 11 months ago - Pushed: about 2 years ago - Stars: 0 - Forks: 0
sbhakat/PAP-review-inputs
How one can use binary classifiers, variational auto-encoder, TICA, PCA, distance and dihedral order parameters as CVs in context of pepsin-like aspartic proteases e.g. BACE1 and plasmepsin-II.
Language: Jupyter Notebook - Size: 12 MB - Last synced: 10 months ago - Pushed: over 3 years ago - Stars: 3 - Forks: 3
