MDAnalysis / MDAnalysisMolSSIWorkshop-Intermediate2DayLinks
☆12Updated 10 months ago
Alternatives and similar repositories for MDAnalysisMolSSIWorkshop-Intermediate2Day
Users that are interested in MDAnalysisMolSSIWorkshop-Intermediate2Day are comparing it to the libraries listed below
Sorting:
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆49Updated 2 months ago
- ☆28Updated last month
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆18Updated 2 months ago
- Materials for 0.5-day MDAnalysis workshops☆10Updated 3 months ago
- Computational Chemistry Workflows☆53Updated 2 years ago
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆32Updated last year
- Random Acceleration Molecular Dynamics in GROMACS☆37Updated 10 months ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Updated 2 years ago
- Creating machine learning algorithms from scratch☆18Updated last month
- ☆34Updated last year
- ☆25Updated last year
- Different run and analysis scripts as described in the research guides.☆13Updated 2 years ago