jchodera / statmech-for-biochemistsLinks
A primer on statistical mechanics for biochemists
☆47Updated 3 years ago
Alternatives and similar repositories for statmech-for-biochemists
Users that are interested in statmech-for-biochemists are comparing it to the libraries listed below
Sorting:
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated 2 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆115Updated 6 years ago
- View proteins and trajectories in the terminal☆110Updated 5 years ago
- Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling☆33Updated last week
- Automated omics-scale protein modeling and simulation setup.☆53Updated 4 years ago
- Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)☆106Updated last year
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- An open set of tools for automating tasks relating to small molecules☆68Updated 3 years ago
- LOOS: a lightweight object-oriented structure analysis library☆125Updated 2 weeks ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆30Updated last year
- Lab policies, training, style guides, etc.☆34Updated last year
- Experimental small molecule hydration free energy dataset☆30Updated 3 years ago
- APBS - software for biomolecular electrostatics and solvation☆129Updated 5 years ago
- How to analyze molecular dynamics data with PyEMMA☆78Updated 6 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆65Updated 4 years ago
- Modeling with limited data☆59Updated 3 months ago
- Sire Molecular Simulations Framework☆96Updated 2 years ago
- ☆72Updated this week
- Use UCSF Chimera Python API in a standard interpreter☆59Updated 6 years ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆187Updated 2 years ago
- Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards☆44Updated 4 years ago
- ☆91Updated 3 years ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆179Updated last month
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year
- MD trajectory server☆35Updated 2 years ago
- Pymol ScrIpt COllection (PSICO)☆61Updated last month
- Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM☆49Updated 8 years ago
- Best Practices article intended for LiveCoMS☆42Updated 5 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year