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 this week
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆37Updated 4 months ago
- Materials for the oxford computational biochemistry course including python☆48Updated 2 years ago
- ☆73Updated last week
- Lab policies, training, style guides, etc.☆34Updated last year
- Physical validation of molecular simulations☆57Updated 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☆47Updated 3 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated last week
- ☆45Updated 5 months 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…☆54Updated last year
- A comprehensive toolkit for predicting free energies☆56Updated 9 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆32Updated 2 months ago
- Enhanced sampling methods for molecular dynamics simulations☆39Updated 2 years ago
- Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code☆41Updated 5 months ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year
- VMD Audio/Text control with natural language☆19Updated 4 years ago
- Source code for HOLE program.☆36Updated last year
- LOOS: a lightweight object-oriented structure analysis library☆125Updated this week
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 2 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago
- Force Distribution Analysis (FDA) for GROMACS☆34Updated last year
- Python Tools for NAMD☆21Updated 5 months ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆29Updated last year
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆13Updated last month
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆26Updated 3 weeks ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated last week
- Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling☆15Updated last year