deepharry
by DeepHarry
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To install packages from this channel, use the channel temporarily with conda or add it to your .condarc file for configured ongoing access. Learn more
- Temporary
- Configured
Packages
| Name | Latest Version | Summary | Updated | License |
|---|
| covdock | 1.0 | My Package | Mar 25, 2025 | MIT |
| difflinker | 1.0.0 | — | Jul 18, 2025 | — |
| gromacs_gpu | 2023 | GROMACS is a versatile package to perform molecular dynamics. | Mar 25, 2025 | GNU Lesser General Public License (LGPL) |
| mgltools | 1.5.7 | MGLTools - a comprehensive suite for molecular modeling. | Mar 25, 2025 | GPL-2.0 |
| openbabel | 2.3.2 | A chemical toolbox designed to speak the many languages of chemical data | Mar 25, 2025 | GPLv2 |
| pmx | v2.0.4 | Toolkit for free-energy calculation setup/analysis and biomolecular structure handling | Mar 25, 2025 | MIT |
| pmx3 | 0.0.1 | Alchemical free-energy Gromacs | Mar 25, 2025 | — |
| pmxalchemical | 0.0.2 | Alchemical free-energy Gromacs scripts | Mar 25, 2025 | — |
| protocaller | 1.2.0 | Full automation of high-throughput relative binding free energy simulations. | Mar 25, 2025 | GPL-3.0 |
| r-mdplot | 1.0.1 | Provides automatization for plot generation succeeding common molecular dynamics analyses. This includes straightforward plots, such as RMSD (Root-Mean-Square-Deviation) and RMSF (Root-Mean-Square-Fluctuation) but also more sophisticated ones such as dihedral angle maps, hydrogen bonds, cluster bar plots and DSSP (Definition of Secondary Structure of Proteins) analysis. Currently able to load GROMOS, GROMACS and AMBER formats, respectively. | Mar 25, 2025 | GPL-3 |