KaneGreen / GROMACS-Windows-BuilderLinks
☆19Updated last week
Alternatives and similar repositories for GROMACS-Windows-Builder
Users that are interested in GROMACS-Windows-Builder are comparing it to the libraries listed below
Sorting:
- tools for GROMACS☆132Updated 6 months ago
- Application of AIGC in drug design☆46Updated last year
- 公众号推送备份☆379Updated 4 months ago
- Python workflow for DP5 and DP4 analysis of organic molecules☆197Updated 2 years ago
- rdkit总结与实践☆244Updated 5 years ago
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆91Updated 2 months ago
- Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English trans…☆90Updated 2 years ago
- DynamiSpectra: Decode molecular motion with precision and power☆20Updated 3 months ago
- Gromacs tutorial PPTs and mdp files, also some plotting scripts☆45Updated 2 months ago
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆201Updated 2 years ago
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆288Updated last month
- clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)☆125Updated last year
- binding free energy estimator 2☆136Updated last month
- OFFICIAL: AnteChamber PYthon Parser interfacE☆241Updated 7 months ago
- Plausibility checks for generated molecule poses.☆347Updated last month
- A script designed to track the detailed submission status on ACS Publishing Platform.☆25Updated 6 months ago
- Pymol-open-source wheels for Python on Windows.☆167Updated 2 months ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆85Updated 9 months ago
- Interface for AutoDock, molecule parameterization☆327Updated this week
- ☆19Updated 7 months ago
- ☆10Updated 10 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆428Updated last year
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆329Updated last year
- Easy to get started with molecular dynamics simulation.☆62Updated 7 months ago
- A universal structure-directed lead optimization☆63Updated 9 months ago
- Python scripts to convert CGenFF stream files to GROMACS format☆45Updated 3 weeks ago
- ☆111Updated 2 years ago
- ☆26Updated last year
- LiveCoMS GROMACS Tutorials Paper☆135Updated 6 years ago
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆16Updated 6 years ago