choderalab / openmm-tutorialsLinks
Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM
☆49Updated 8 years ago
Alternatives and similar repositories for openmm-tutorials
Users that are interested in openmm-tutorials are comparing it to the libraries listed below
Sorting:
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆117Updated 7 years ago
- Challenge details, inputs, and results for the SAMPL7 series of challenges☆48Updated 4 years ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆54Updated 3 years ago
- psi4+RDKit☆104Updated 8 months ago
- OpenMM plugin to define forces with neural networks☆32Updated 6 years ago
- An open set of tools for automating tasks relating to small molecules☆68Updated 4 years ago
- An implementation of Delaney's ESOL method using the RDKit☆62Updated 7 years ago
- An application for configuring and running simulations with OpenMM☆76Updated 2 months ago
- Everything to do with the Mur Ligase Project☆29Updated 10 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
- How to analyze molecular dynamics data with PyEMMA☆82Updated 6 years ago
- Python for chemoinformatics☆52Updated 6 years ago
- Enable cheminformatics and quantum chemistry☆77Updated 2 years ago
- Structure-informed machine learning for kinase modeling☆59Updated this week
- ☆91Updated 3 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated 2 years ago
- Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges☆25Updated 7 months ago
- A stripped-down set of just antechamber, sqm, and tleap.