The database of chemical parameters used with Reaction Mechanism Generator
☆127Sep 14, 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).☆530Updated this week
- ARC - Automatic Rate Calculator☆51Updated this week
- A Django-powered website for Reaction Mechanism Generator (RMG)☆22Sep 8, 2026Updated last week
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆95Jul 21, 2026Updated last month
- AutoTST: A framework to perform automated transition state theory calculations☆51Jul 14, 2026Updated 2 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.
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆32Apr 9, 2025Updated last year
- Automated reaction pathway search for gas-phase molecules☆63Updated this week
- The Java version of RMG: Reaction Mechanism Generator☆31Jan 30, 2016Updated 10 years ago
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆20Dec 8, 2020Updated 5 years ago
- The Tandem Tool (T3) for automated chemical kinetic model development☆14Sep 12, 2026Updated last week
- Python interface to the ChemKED database format☆18Aug 4, 2026Updated last month
- A data-driven tool to predict the reaction order of homogeneous gas-phase reactions. Includes machine learning experiments on the NIST Ch…☆28Nov 14, 2019Updated 6 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated 2 years ago
- Thermal and photochemical reaction path optimization and discovery☆82Aug 13, 2026Updated last month
- 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.
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- Search/browse interface and APIs for the Open Reaction Database☆23Sep 1, 2026Updated 2 weeks ago
- Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application☆37Aug 6, 2026Updated last month
- Project to create a curated chemical metadata (structures, names, synonyms, formulas) database under git revision control based on existi…☆20Aug 13, 2026Updated last month
- Fast Molecular Property Prediction with mordredcommunity☆61Dec 12, 2025Updated 9 months ago
- Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.☆14Oct 4, 2021Updated 4 years ago
- Creates C and CUDA analytical Jacobians for chemical kinetics ODE systems☆57Aug 10, 2026Updated last month
- A Code for Evaluating the IAPWS-95 Equation-of-State Model for Water☆11Jul 30, 2020Updated 6 years ago
- 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.
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆15May 6, 2023Updated 3 years ago
- Chemical equilibrium for electrolytes system in pure python.☆28Mar 29, 2022Updated 4 years ago
- Ember: unsteady strained flame solver☆61Jul 6, 2026Updated 2 months ago
- A collection of tools based on Computational Singular Perturbation for the analysis of chemically reacting systems☆31Jan 21, 2026Updated 7 months ago
- Computational Chemistry☆28Jul 11, 2025Updated last year
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆35Aug 10, 2022Updated 4 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆101Updated this week
- A Google-Colab Notebook Collection for Materials Design: https://atomgpt.org/☆20Jun 24, 2026Updated 2 months ago
- A Python library for solution chemistry☆77Updated this week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- automated reaction profile generation☆211Mar 10, 2026Updated 6 months ago
- Fluid property diagrams☆41Aug 10, 2026Updated last month
- This is the 25 + 1 year anniversary version of the 1995 Rachford-Rice contest. Can you solve the Rachford-Rice problem for all these case…☆20Apr 5, 2022Updated 4 years ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆60Sep 11, 2026Updated last week
- Depiction of Potential Energy Surfaces☆15May 7, 2024Updated 2 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆89Nov 4, 2023Updated 2 years ago