The Tandem Tool (T3) for automated chemical kinetic model development
☆14Apr 18, 2026Updated last week
Alternatives and similar repositories for T3
Users that are interested in T3 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ARC - Automatic Rate Calculator☆48Updated this week
- Automatically test chemical kinetic models using experimental data☆21Feb 27, 2022Updated 4 years ago
- Depiction of Potential Energy Surfaces☆15May 7, 2024Updated last year
- AutoTST: A framework to perform automated transition state theory calculations☆44Updated this week
- Database of ChemKED files for fundamental combustion experiments☆14Apr 2, 2026Updated 3 weeks 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.
- CNF'16: "A global pathway selection algorithm for the reduction of detailed chemical kinetic mechanisms"☆29Jan 19, 2021Updated 5 years ago
- General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations☆11Dec 22, 2021Updated 4 years ago
- Automated reaction pathway search for gas-phase molecules☆59Mar 26, 2026Updated last month
- Python package for flexible generation of D-optimal experimental designs☆12Jun 6, 2023Updated 2 years ago
- Official Cantera Website☆18Nov 18, 2025Updated 5 months ago
- Python version of the amazing Reaction Mechanism Generator (RMG).☆511Updated this week
- The database of chemical parameters used with Reaction Mechanism Generator☆121Apr 22, 2026Updated last week
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆19Dec 8, 2020Updated 5 years ago
- Easy determine UNIFAC Groups☆13Oct 13, 2025Updated 6 months 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.
- A Django-powered website for Reaction Mechanism Generator (RMG)☆22Mar 30, 2026Updated last month
- "Just as the arts of tanning and dyeing were practiced long before the scientific principles upon which they depend were known, so also t…☆13Jun 30, 2019Updated 6 years ago
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆92Mar 4, 2026Updated last month
- By using python 3.6 and google recognizer and ffmpeg it will convert video file like mp4 to audio file like mp3 and also convert 3gp file…☆13Jan 30, 2019Updated 7 years ago
- script to visualize results from an ORCA NEB run☆17Feb 5, 2024Updated 2 years ago
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆31Apr 9, 2025Updated last year
- Code for MAE 423 Heat Transfer (Fall 2019-20).☆16Jan 15, 2020Updated 6 years ago
- The application of a Physics Informed Neural Network on modelling the parameters of a Continuously Stirred Tank Reactor, based on the dat…☆18Jun 25, 2024Updated last year
- Materials for my undergraduate course on Chemical Engineering Kinetics and Reactor Design at Northeastern University☆18Jan 10, 2024Updated 2 years ago
- 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.
- Python interface to the ChemKED database format☆18Jul 31, 2024Updated last year
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆12Oct 19, 2023Updated 2 years ago
- A reinforcement learning library for material and molecule optimization☆32Apr 4, 2024Updated 2 years ago
- ☆14Oct 16, 2022Updated 3 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 11 years ago
- Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.☆57Feb 24, 2022Updated 4 years ago
- JavaScript library for misspelling and modifying text to make it seem like it was written by a stereotypical "bimbo", or to make the text…☆13Mar 14, 2023Updated 3 years ago
- Ground station for post-2019 rocket code☆13Nov 10, 2022Updated 3 years ago
- Predict optical properties of molecules with machine learning.☆35Jul 30, 2025Updated 9 months 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.
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆35Nov 24, 2025Updated 5 months ago
- ☆17Nov 19, 2025Updated 5 months ago
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆13Jun 27, 2025Updated 10 months ago
- Cheminformatic analysis of small molecule type drugs in DrugBank for their ability to form nanoparticles with indocyanine dyes.☆11Apr 30, 2018Updated 8 years ago
- Prediction of turbulent heat transfer using convolutional neural networks (CNNs)☆22Jan 22, 2023Updated 3 years ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆31Oct 24, 2025Updated 6 months ago
- Sustain-LC is a benchmarking environment for traditional and reinforcement learning based controls as well as LLM based control☆31Aug 7, 2025Updated 8 months ago