The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.
☆79May 23, 2025Updated last year
Alternatives and similar repositories for sharc
Users that are interested in sharc are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆43Oct 26, 2026Updated last week
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆27Jan 4, 2026Updated 9 months ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆21Jun 1, 2021Updated 5 years ago
- ☆38Jan 31, 2024Updated 2 years ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆17Jul 20, 2026Updated 3 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated 2 years ago
- ☆61Oct 22, 2026Updated last week
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 years ago
- Multipurpose ab initio MD program.☆15Sep 3, 2026Updated 2 months ago
- Tutorials showcasing various capabilities of Libra☆29Sep 5, 2026Updated last month
- ☆26Oct 26, 2022Updated 4 years ago
- Wave-function analysis tool library☆28Mar 29, 2026Updated 7 months ago
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics☆26Aug 26, 2022Updated 4 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- WESTpy code☆13Aug 29, 2026Updated 2 months ago
- Scripts for using pymol together with quantum chemistry programs☆18May 26, 2026Updated 5 months ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 5 years ago
- ☆14Jan 29, 2018Updated 8 years ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11May 15, 2024Updated 2 years ago
- Molcas wavefunction assistent☆13Jul 2, 2021Updated 5 years ago
- Python-based Fermi-Löwdin orbital self-interaction-correction☆23Oct 7, 2022Updated 4 years ago
- ☆13Apr 11, 2019Updated 7 years ago
- Molecular structure optimizer☆134Jul 18, 2026Updated 3 months 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.
- Quick Reaction Coordinate: normal mode displacement of transition structures☆45Sep 27, 2026Updated last month
- ☆25Mar 12, 2026Updated 7 months ago
- code for single-ended and double-ended molecular GSM☆68Jun 30, 2026Updated 4 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆90Jun 8, 2024Updated 2 years ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆232Updated this week
- Package containing several workflows to compute molecular properties for nanomaterials☆12Jun 28, 2024Updated 2 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆58Updated this week
- Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.☆134Feb 11, 2026Updated 8 months ago
- Real-time TDDFT for Quantum-Espresso☆26Aug 31, 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.
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆23Nov 3, 2022Updated 3 years ago
- adcc: Seamlessly connect your program to ADC☆42Updated this week
- ☆12Updated this week
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆103Jul 24, 2021Updated 5 years ago
- DynEMol: tools for studying Excited State Dynamics of Electrons in Molecules☆11Oct 10, 2026Updated 3 weeks ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆74Oct 24, 2026Updated last week
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago