channotation / chapLinks
CHAP is a tool for the functional annotation of ion channel structures:
☆21Updated last year
Alternatives and similar repositories for chap
Users that are interested in chap are comparing it to the libraries listed below
Sorting:
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- The MDAnalysis Toolkits Registry☆19Updated last week
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Updated 2 years ago
- A primer on statistical mechanics for biochemists☆48Updated 3 years ago
- Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…☆55Updated last year
- Python Tools for NAMD☆23Updated 7 months ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Updated 2 years ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆38Updated 6 months ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆42Updated last year
- A Python toolkit for the analyis of lipid membrane simulations☆33Updated last month
- Source code for HOLE program.☆37Updated last year
- ☆46Updated last month
- ☆78Updated 2 months ago
- Physical validation of molecular simulations☆57Updated 2 months ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 3 weeks ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆57Updated this week
- TS2CG version 2☆26Updated 2 weeks ago
- LOOS: a lightweight object-oriented structure analysis library☆126Updated 2 months ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- Materials for the oxford computational biochemistry course including python☆49Updated 3 years ago
- Lab policies, training, style guides, etc.☆34Updated last week
- A comprehensive toolkit for predicting free energies☆58Updated 11 months ago
- A conda-smithy repository for ambertools.☆11Updated 9 months ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆30Updated 3 weeks ago
- The pDynamo molecular modeling and simulation program☆42Updated 3 weeks ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆14Updated 4 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆37Updated last month
- The OpenMM Cookbook and Tutorials☆53Updated 2 weeks ago
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆26Updated 4 years ago
- Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code☆41Updated last week