The database of chemical parameters used with Reaction Mechanism Generator
☆121May 15, 2026Updated this week
Alternatives and similar repositories for RMG-database
Users that are interested in RMG-database are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python version of the amazing Reaction Mechanism Generator (RMG).☆516May 13, 2026Updated last week
- ARC - Automatic Rate Calculator☆49Updated this week
- A Django-powered website for Reaction Mechanism Generator (RMG)☆22Mar 30, 2026Updated last month
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆92Mar 4, 2026Updated 2 months ago
- AutoTST: A framework to perform automated transition state theory calculations☆44Apr 27, 2026Updated 3 weeks ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆31Apr 9, 2025Updated last year
- Automated reaction pathway search for gas-phase molecules☆60Mar 26, 2026Updated last month
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆19Dec 8, 2020Updated 5 years ago
- The Tandem Tool (T3) for automated chemical kinetic model development☆14Apr 18, 2026Updated last month
- Python interface to the ChemKED database format☆18Jul 31, 2024Updated last year
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated last year
- Thermal and photochemical reaction path optimization and discovery☆76May 11, 2024Updated 2 years ago
- A data-driven tool to predict the reaction order of homogeneous gas-phase reactions. Includes machine learning experiments on the NIST Ch…☆26Nov 14, 2019Updated 6 years ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- 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.
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year
- Search/browse interface and APIs for the Open Reaction Database☆23Updated this week
- Fluid property diagrams☆41Apr 24, 2026Updated 3 weeks ago
- Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application☆35Jan 12, 2026Updated 4 months ago
- Fast Molecular Property Prediction with mordredcommunity☆58Dec 12, 2025Updated 5 months ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆33Oct 24, 2025Updated 6 months ago
- Project to create a curated chemical metadata (structures, names, synonyms, formulas) database under git revision control based on existi…☆20Dec 11, 2024Updated last year
- Creates C and CUDA analytical Jacobians for chemical kinetics ODE systems☆56Feb 7, 2022Updated 4 years ago
- Chemical equilibrium for electrolytes system in pure python.☆28Mar 29, 2022Updated 4 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.
- A Julia based simulation framework for thermodynamic cycles.☆33Dec 12, 2025Updated 5 months ago
- A Code for Evaluating the IAPWS-95 Equation-of-State Model for Water☆11Jul 30, 2020Updated 5 years ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆15May 6, 2023Updated 3 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆34Aug 10, 2022Updated 3 years ago
- Ember: unsteady strained flame solver☆58Oct 10, 2025Updated 7 months ago
- A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.☆44Updated this week
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆94Apr 13, 2026Updated last month
- Computational Chemistry☆27Jul 11, 2025Updated 10 months ago
- A collection of tools based on Computational Singular Perturbation for the analysis of chemically reacting systems☆30Jan 21, 2026Updated 3 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- A Python library for solution chemistry☆75May 14, 2026Updated last week
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆59May 4, 2026Updated 2 weeks ago
- This repository includes pKa data obtained from measurements in aqueous solutions, digitized and curated from reference books published b…☆92Mar 19, 2026Updated 2 months ago
- Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.☆14Oct 4, 2021Updated 4 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Nov 4, 2023Updated 2 years ago
- automated reaction profile generation☆203Mar 10, 2026Updated 2 months ago