Quantum Chemistry Web Platform
☆75Sep 19, 2026Updated 3 weeks ago
Alternatives and similar repositories for CalcUS
Users that are interested in CalcUS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Computational Chemistry Input Generator☆52Jun 11, 2026Updated 4 months ago
- MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online☆97Sep 15, 2022Updated 4 years ago
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆170Sep 8, 2026Updated last month
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 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.
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Jul 30, 2026Updated 2 months ago
- An interface program between Gaussian and CFour.☆14Sep 18, 2023Updated 3 years ago
- Implementation of various machine learning representations for molecules☆25Jan 7, 2022Updated 4 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Jul 4, 2026Updated 3 months ago
- ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.☆65Updated this week
- Dynamic Radii Adjustment for COntinuum Solvation☆19Aug 22, 2025Updated last year
- Program for revealing non-covalent interactions☆37Oct 21, 2022Updated 3 years ago
- A lightweight, 3D molecular viewer for JavaScript and PureScript applications.☆23Mar 5, 2023Updated 3 years ago
- Using quantum chemical computation to find important reactions without requiring human intuition.☆21May 9, 2018Updated 8 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Δ-QML for medicinal chemistry☆112May 5, 2025Updated last year
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 7 years ago
- Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)☆125Mar 13, 2022Updated 4 years ago
- Simple package for fast molecular similarity searches☆184Jul 16, 2026Updated 2 months ago
- Amateurish molecular electronic structure program.(for linux)☆25Nov 1, 2016Updated 9 years ago
- A Python implementation of the direct MaxFlux method for transition state search☆45Aug 16, 2026Updated last month
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆231Sep 28, 2026Updated 2 weeks ago
- NWChem: Open Source High-Performance Computational Chemistry☆628Updated this week
- Computational chemistry with free and open source software