ARC - Automatic Rate Calculator
☆51Aug 8, 2026Updated this week
Alternatives and similar repositories for ARC
Users that are interested in ARC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The Tandem Tool (T3) for automated chemical kinetic model development☆14Updated this week
- The database of chemical parameters used with Reaction Mechanism Generator☆127Updated this week
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆94Jul 21, 2026Updated 2 weeks ago
- Python version of the amazing Reaction Mechanism Generator (RMG).☆527Jul 31, 2026Updated last week
- AutoTST: A framework to perform automated transition state theory calculations☆50Jul 14, 2026Updated 3 weeks 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.
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆32Apr 9, 2025Updated last year
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆20Dec 8, 2020Updated 5 years ago
- Automated reaction pathway search for gas-phase molecules☆62Jul 2, 2026Updated last month
- Depiction of Potential Energy Surfaces☆15May 7, 2024Updated 2 years ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- Python interface to the ChemKED database format☆18Updated this week
- Partially Stirred Reactor using Cantera, for validating mixing models.☆10Feb 15, 2022Updated 4 years ago
- Ember: unsteady strained flame solver☆60Jul 6, 2026Updated last month
- A Django-powered website for Reaction Mechanism Generator (RMG)☆22Jul 8, 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.
- code for ZStruct-2☆16Aug 31, 2024Updated last year
- Generate 3D transition state geometries with GNNs☆13Oct 13, 2020Updated 5 years ago
- Python program for aggregation and reaction☆23Jul 5, 2026Updated last month
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆172Jul 9, 2026Updated last month
- automated reaction profile generation☆209Mar 10, 2026Updated 4 months ago
- QM/MM interfacing in Python☆10Feb 12, 2019Updated 7 years ago
- rNets: A standalone package to visualize reaction networks☆17Oct 18, 2024Updated last year
- A collection of tools based on Computational Singular Perturbation for the analysis of chemically reacting systems☆31Jan 21, 2026Updated 6 months ago
- A wrapper to run xtb inside Gaussian.☆29Aug 18, 2020Updated 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.
- TChem - A Software Toolkit for the Analysis of Complex Kinetic Models☆71Aug 29, 2025Updated 11 months ago
- script to visualize results from an ORCA NEB run☆18Feb 5, 2024Updated 2 years ago
- An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of re…☆29Jun 4, 2026Updated 2 months ago
- Using quantum chemical computation to find important reactions without requiring human intuition.☆19May 9, 2018Updated 8 years ago
- Automated discovery of reaction Mechanisms and Kinetics☆33Jul 24, 2026Updated 2 weeks ago
- Spin-projected Unrestricted Hartree-Fock program☆10Jul 1, 2026Updated last month
- Data and model repository for the ASKCOS application☆17Feb 24, 2022Updated 4 years ago
- Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application☆37Updated this week
- Thermal and photochemical reaction path optimization and discovery☆80Jul 31, 2026Updated last week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- QSPR-based PyTorch models for fuel property prediction, with bundled datasets and analytical blend rules☆19Aug 3, 2026Updated last week
- Parsers and algorithms for computational chemistry logfiles☆421Updated this week
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- ☆89Oct 9, 2025Updated 10 months ago
- Book on Chemical Reactions and Dynamical Systems☆15Apr 11, 2023Updated 3 years ago
- ☆17Mar 14, 2025Updated last year
- Savoie Group's Yet Another Reaction Program for high-thoughput chemical reaction characterization☆34Updated this week