evangelistalab / fortecubeview
A simple cube file viewer based on pythreejs
☆24Updated last year
Alternatives and similar repositories for fortecubeview:
Users that are interested in fortecubeview are comparing it to the libraries listed below
- optking: A molecular geometry optimization program☆23Updated this week
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated 8 months ago
- Fast continuum solvation based on domain decomposition☆22Updated 2 months ago
- A Python script for rendering cube files generated by Psi4☆17Updated last month
- Fast computation of a gaussian and its derivative on a grid.☆30Updated 9 months ago
- Learning Machine Learning☆15Updated last year
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆30Updated 7 months ago
- a unified interface for molecular harmonic vibrational frequency calculations☆30Updated 6 months ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated this week
- Basis set optimization library for quantum chemistry☆34Updated last year
- This library tackles the construction and efficient execution of computational chemistry workflows☆46Updated last year
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆30Updated 3 months ago
- Yet Another extended Hueckel Molecular Orbital Package☆20Updated 10 months ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆50Updated 3 weeks ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆46Updated 8 months ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆32Updated 2 months ago
- n2v: Density-to-potential Inversion Suite☆22Updated 2 years ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆43Updated 4 months ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- ☆19Updated 3 weeks ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆18Updated last week
- Tight Binding Machine Learning Toolkit☆35Updated 2 weeks ago
- Quick Reaction Coordinate using Python☆38Updated 7 months ago
- TREX I/O library☆49Updated last month
- Many-body dispersion library☆54Updated 4 months ago
- Numerical integration grid for molecules.☆49Updated 4 months ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated last year
- helPME: an efficient library for particle mesh Ewald☆28Updated 2 years ago
- Reusable DFT Grids for the Masses☆15Updated last year
- A library that enables code interoperability via the MolSSI Driver Interface.☆33Updated 3 weeks ago