wxMacMolPlt is a graphical user interface principally for the GAMESS program
☆31Jan 3, 2024Updated 2 years ago
Alternatives and similar repositories for wxmacmolplt
Users that are interested in wxmacmolplt are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Non-covalent index plots in molecular systems.☆22Sep 6, 2017Updated 9 years ago
- SpecDis is a handy tool to process the results of quantum-chemical ECD/UV, ORD, or VCD/IR calculations. It supports diverse software pack…☆12Oct 13, 2017Updated 8 years ago
- The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.☆78Updated this week
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆103Jul 24, 2021Updated 5 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years ago
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 6 years ago
- Calculate the dispersion energy and related quantities in gas-phase systems using the exchange-hole dipole moment (XDM) model.☆23May 29, 2025Updated last year
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago
- Automation of computational chemistry tasks using GAMESS, Orca, PSI4 and Gaussian. Gamess tasks emphasise the use of FMO calculations.☆25Apr 27, 2025Updated last year
- ERKALE -- HF/DFT from Hel☆56Aug 15, 2026Updated last month
- Qbox public repository☆40Aug 26, 2026Updated 3 weeks ago
- 3D molecular structure generation for MD simulation☆10May 7, 2026Updated 4 months ago
- Numerical integration grid for molecules.☆52Aug 17, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- 🚀 To step up in Quantum Computing, Here is a toolkit implementing fundamental quantum algorithms using IBM's Qiskit framework. Features …☆13Jan 6, 2025Updated last year
- Scripts for using pymol together with quantum chemistry programs☆18May 26, 2026Updated 3 months ago
- An API for the Polarizable Continuum Model☆38May 31, 2023Updated 3 years ago
- This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable …☆17Jul 27, 2026Updated last month
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆16Updated this week
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆177Updated this week
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 3 years ago
- Main repository for the CP-PAW code☆12Sep 4, 2026Updated 2 weeks ago
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69May 18, 2021Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆230Sep 5, 2026Updated 2 weeks ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆25Apr 6, 2024Updated 2 years ago
- Combining Psi4 and Numpy for education and development.☆400Jan 8, 2024Updated 2 years ago
- Python input file generators for Avogadro 2☆16Sep 5, 2026Updated 2 weeks ago
- DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…☆23Sep 24, 2025Updated last year
- ☆15Oct 9, 2025Updated 11 months ago
- Resources for teaching quantum chemistry courses in Bonn☆43Jul 20, 2026Updated 2 months ago
- Python-based library for working with computational chemistry files☆23Oct 29, 2025Updated 10 months ago
- VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectros…☆67Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- A library to interface molecules and machine learning.☆62Jul 31, 2019Updated 7 years ago
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆64Jul 17, 2025Updated last year
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- Geometry optimization code that includes the TRIC coordinate system☆228Jul 19, 2026Updated 2 months ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11May 15, 2024Updated 2 years ago
- MOPAC wrapper providing the PM6-ML correction☆25Mar 23, 2026Updated 6 months ago