scotthartley / blmolLinks
A script for importing molecular geometries into Blender
☆36Updated 3 years ago
Alternatives and similar repositories for blmol
Users that are interested in blmol are comparing it to the libraries listed below
Sorting:
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago
- Tools for ThermoML parsing☆20Updated 3 years ago
- Program for revealing non-covalent interactions☆34Updated 2 years ago
- This library tackles the construction and efficient execution of computational chemistry workflows☆47Updated last year
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆52Updated 3 weeks ago
- ☆58Updated 2 months ago
- Reads Gromacs EDR file to populate a pandas dataframe☆33Updated 6 months ago
- Dihedral scanner with wavefront propagation☆34Updated last month
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆53Updated last year
- A Python code to quickly derive ab initio parameterized force fields.☆41Updated last year
- ☆20Updated 3 weeks ago
- MDAnalysis wrapper around Packmol☆31Updated 2 years ago
- Implementation of various machine learning representations for molecules☆24Updated 3 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- energetic sorting of conformer rotamer ensembles☆10Updated 2 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆26Updated last year
- Useful tools written for Gaussian (an electronic structure program for computational chemistry)☆30Updated 8 years ago
- Quick Reaction Coordinate using Python☆38Updated 11 months ago
- MolMod is a collection of molecular modelling tools for python.☆59Updated last year
- A molecule viewer with cavity computation☆15Updated 2 weeks ago
- python scripts useful to users of computational chemistry software☆42Updated 2 years ago
- blend molecules!☆37Updated 3 months ago
- Analyse Rotational Diffusion Tensor from MD Simulations☆18Updated 7 months ago
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆33Updated 6 years ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆33Updated 2 years ago
- Python Library for Automating Molecular Simulations☆77Updated this week
- A simple python package for drawing attractive chemical reaction energy level diagrams☆28Updated 5 years ago
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆31Updated 7 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 3 months ago
- A comprehensive tool for analyzing liquid solvation structure.☆52Updated 10 months ago