mattbernst / pDynamo-mirrorLinks
Mirror of pDynamo computational chemistry software, which does not currently use a public version control repository
☆10Updated 8 years ago
Alternatives and similar repositories for pDynamo-mirror
Users that are interested in pDynamo-mirror are comparing it to the libraries listed below
Sorting:
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆58Updated 4 months ago
- python wrappers for generating training files for the ReaxFF code☆24Updated 11 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆27Updated last year
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆26Updated 3 years ago
- Implementation of various machine learning representations for molecules☆25Updated 3 years ago
- This library tackles the construction and efficient execution of computational chemistry workflows☆50Updated last year
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆34Updated 3 years ago
- A python utility to convert between XYZ and Z-matrix geometries.☆42Updated 3 years ago
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆33Updated last year
- A Python code to quickly derive ab initio parameterized force fields.☆44Updated 2 years ago
- Debye's scattering equation & other analysis of atomistic models.☆55Updated last year
- A python script to plot an energy level diagram from an input file.☆29Updated 4 years ago
- ☆18Updated 7 months ago
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Updated this week
- Extended conductor-like polarizable continuum solvation model☆21Updated 8 months ago
- a unified interface for molecular harmonic vibrational frequency calculations☆33Updated 3 months ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆46Updated 4 months ago
- Python code for learning Molecular Dynamics simulations☆53Updated 4 years ago
- ☆45Updated 5 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Updated 8 years ago
- ☆30Updated 7 months ago
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆35Updated 7 years ago
- ☆61Updated 4 months ago
- Program for revealing non-covalent interactions☆34Updated 3 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆54Updated 3 months ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- ☆14Updated 6 years ago
- Python tool to manipulate Gaussian cube files☆49Updated 2 years ago