Becksteinlab / making-prettier-plots
a quick primer on making prettier (and more impactful) plots
☆13Updated 9 years ago
Related projects ⓘ
Alternatives and complementary repositories for making-prettier-plots
- Python bindings for TNG file format☆13Updated last week
- Comparison benchmarks between public force fields and Open Force Field Initiative force fields☆10Updated 2 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆39Updated 2 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆76Updated 2 months ago
- Calculation of water/solvent partition coefficients with Gromacs.☆25Updated last month
- Dihedral scanner with wavefront propagation☆31Updated 7 months ago
- Package for consistent reporting of relative free energy results☆37Updated 5 months ago
- the simple alchemistry test set☆9Updated 4 months ago
- The MDAnalysis Toolkits Registry☆17Updated this week
- Analysis of non-covalent interactions in MD trajectories☆51Updated last year
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆19Updated 6 years ago
- Fast PBC wrapping and unwrapping for VMD☆23Updated 2 weeks ago
- Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits☆13Updated 2 weeks ago
- RESP with inter- and intra-molecular constraints in Psi4.☆29Updated last year
- Advanced toolkit for binding free energy calculations☆31Updated last month
- ☆32Updated 2 months ago
- Physical validation of molecular simulations☆55Updated last week
- ☆15Updated 3 months ago
- Spectral Gap Optimization of Parameters☆17Updated 4 years ago
- Main code repository for FATSLiM☆21Updated 2 years ago
- ☆10Updated last year
- User Guide for MDAnalysis☆22Updated this week
- A Python toolkit for the analyis of lipid membrane simulations☆29Updated 5 months ago
- The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.☆12Updated 3 months ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆28Updated 2 months ago
- Lab policies, training, style guides, etc.☆35Updated 7 months ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆31Updated 3 years ago
- Experimental small molecule hydration free energy dataset☆30Updated 2 years ago
- Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.☆20Updated last year
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆23Updated 4 years ago