Z-H-Sun / MRN-ADF_PatchLinks
M e s t R e N o v a 1 2 . 0 Patch for Win/Mac and A D F 2 0 1 2 Patch for Win/Linux
☆11Updated 8 months ago
Alternatives and similar repositories for MRN-ADF_Patch
Users that are interested in MRN-ADF_Patch are comparing it to the libraries listed below
Sorting:
- A tool to create pixel-accurate energy diagrams as ChemDraw object☆65Updated 4 months ago
- Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English trans…☆79Updated 2 years ago
- 公众号推送备份☆341Updated 5 months ago
- binding free energy estimator 2☆118Updated last week
- A simple program to solve the Eyring Equation and first/second order kinetics.☆20Updated 2 years ago
- A collection of frequency scale factors from various sources.☆10Updated 2 years ago
- tools for GROMACS☆113Updated last week
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆145Updated 9 months ago
- Gromacs to Lammps simulation converter☆79Updated last year
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆74Updated 9 months ago
- Python workflow for DP5 and DP4 analysis of organic molecules☆188Updated last year
- Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.☆78Updated 4 years ago
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆189Updated last year
- Describe and apply transformation on molecular structures and topologies☆113Updated 2 weeks ago
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆253Updated this week
- AI-enhanced computational chemistry☆91Updated 2 weeks ago
- ☆66Updated 5 months ago
- OFFICIAL: AnteChamber PYthon Parser interfacE☆228Updated 4 months ago
- cp2k postprocessing tools☆68Updated last week
- Visual Interactive Analysis of Molecular Dynamics☆295Updated this week
- the simple alchemistry library☆215Updated 3 weeks ago
- Tools to automatically convert and proccess cdx and cdxml files in python☆43Updated last year
- ☆41Updated 3 months ago
- A feeble attempt at molecular recognition (in the literal sense)☆60Updated 5 months ago
- ☆34Updated last month
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆152Updated last month
- Workshop teaching QMMM using Amber☆63Updated 2 years ago
- Benchmark set for relative free energy calculations.☆107Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆150Updated 2 weeks ago
- ☆49Updated last year