A fast domain decomposition based implementation of the COSMO solvation model
☆16Jun 15, 2020Updated 5 years ago
Alternatives and similar repositories for ddPCM
Users that are interested in ddPCM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- SOC integrals generator with atomic mean field approximation☆10Apr 26, 2026Updated last week
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- A kd-tree implementation in Fortran by Matthew B. Kennel☆11Jun 29, 2025Updated 10 months ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- Electronegativity equilibration model for atomic partial charges☆24Mar 9, 2026Updated last month
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Geometrical Counter-Poise Correction☆14Nov 19, 2024Updated last year
- Solvent accessible surface area calculation☆21Mar 12, 2025Updated last year
- gammcor code☆11Mar 10, 2026Updated last month
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆47Apr 23, 2026Updated last week
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Mar 6, 2024Updated 2 years ago
- Multi-collinear functional☆10Feb 12, 2026Updated 2 months ago
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆17Apr 26, 2026Updated last week
- ☆15Mar 3, 2026Updated 2 months ago
- Dyson equation solvers for Green's function methods☆12Apr 21, 2026Updated last week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Wave-function analysis tool library☆27Mar 29, 2026Updated last month
- A simple cube file viewer based on pythreejs☆25Apr 15, 2026Updated 2 weeks ago
- An API for the Polarizable Continuum Model☆36May 31, 2023Updated 2 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆32Apr 24, 2026Updated last week
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 11 months ago
- Numerical integration grid for molecules.☆50Apr 14, 2026Updated 2 weeks ago
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- EPOCH Input System Version 2☆10Jun 5, 2020Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- A collection of utilities written in Modern Fortran☆10Sep 15, 2024Updated last year
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- Basis set optimization library for quantum chemistry☆36Jun 27, 2025Updated 10 months ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Oct 8, 2025Updated 6 months ago
- ☆14Feb 20, 2025Updated last year
- ☆19Jul 25, 2022Updated 3 years ago
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆12Jan 29, 2026Updated 3 months ago
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 2 months 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.
- C++ and Python library for Polarizable Embedding☆23Updated this week
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 5 years ago
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- A generic Runge-Kutta module to solve a system of ODEs☆12May 17, 2019Updated 6 years ago