channotation / chapLinks
CHAP is a tool for the functional annotation of ion channel structures:
☆21Updated 2 years ago
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
- Materials for the oxford computational biochemistry course including python☆50Updated 3 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated 3 weeks ago
- ☆47Updated last week
- The MDAnalysis Toolkits Registry☆19Updated last week
- Python Tools for NAMD☆23Updated 9 months ago
- Lab policies, training, style guides, etc.☆35Updated last month
- A Python toolkit for the analyis of lipid membrane simulations☆32Updated 3 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…☆55Updated last year
- Physical validation of molecular simulations☆57Updated last month
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Updated 2 years ago
- pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…☆27Updated 5 years ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆32Updated 2 weeks ago
- Get access to our MD data files.☆30Updated 2 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Updated 2 weeks ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆38Updated 8 months ago
- LOOS: a lightweight object-oriented structure analysis library☆127Updated 3 months ago
- A comprehensive toolkit for predicting free energies☆58Updated last year
- A primer on statistical mechanics for biochemists☆48Updated 3 years ago
- Source code for HOLE program.☆37Updated last year
- Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code☆41Updated last month
- Enhanced sampling methods for molecular dynamics simulations☆42Updated 3 years ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Updated 2 years ago
- ☆80Updated 3 weeks ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆30Updated 2 years ago
- How to analyze molecular dynamics data with PyEMMA☆82Updated 6 years ago
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆118Updated 7 years ago
- Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling☆17Updated last month
- Given an RDKit molecule that does not sanitise, correct it until it does☆43Updated last year