A fast domain decomposition based implementation of the COSMO solvation model
☆16Jun 15, 2020Updated 6 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☆11Apr 26, 2026Updated 4 months ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 6 years ago
- A kd-tree implementation in Fortran by Matthew B. Kennel☆11Jun 29, 2025Updated last year
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- Geometrical Counter-Poise Correction☆14Aug 17, 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.
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆53Mar 27, 2026Updated 5 months ago
- Solvent accessible surface area calculation☆21Mar 12, 2025Updated last year
- Electronegativity equilibration model for atomic partial charges☆26Jul 29, 2026Updated last month
- 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
- ☆27Jun 9, 2026Updated 3 months ago
- Wave-function analysis tool library☆28Mar 29, 2026Updated 5 months ago
- Multi-collinear functional☆11Feb 12, 2026Updated 7 months ago
- gammcor code☆12Updated this week
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated 2 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A simple cube file viewer based on pythreejs☆24Apr 15, 2026Updated 5 months ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆62Updated this week
- An API for the Polarizable Continuum Model☆38May 31, 2023Updated 3 years ago
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 4 years ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- QuAcK: a software for emerging quantum electronic structure methods☆34Sep 2, 2026Updated 2 weeks ago
- Numerical integration grid for molecules.☆52Aug 17, 2026Updated last month
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Jul 16, 2026Updated 2 months ago
- C++ and Python library for Polarizable Embedding☆24Apr 27, 2026Updated 4 months ago
- 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.
- EPOCH Input System Version 2☆10Jun 5, 2020Updated 6 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Jul 4, 2026Updated 2 months ago
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years ago
- 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 2 years ago
- ☆15Aug 3, 2026Updated last month
- Basis set optimization library for quantum chemistry☆36Jun 27, 2025Updated last year
- ☆19Jul 25, 2022Updated 4 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 7 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆62Nov 30, 2022Updated 3 years ago
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations