The Tandem Tool (T3) for automated chemical kinetic model development
☆14May 29, 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☆49Jun 3, 2026Updated last week
- Automatically test chemical kinetic models using experimental data☆21May 17, 2026Updated 3 weeks ago
- Depiction of Potential Energy Surfaces☆15May 7, 2024Updated 2 years ago
- AutoTST: A framework to perform automated transition state theory calculations☆45Apr 27, 2026Updated last month
- Database of ChemKED files for fundamental combustion experiments☆14Apr 2, 2026Updated 2 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- 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☆61May 21, 2026Updated 2 weeks ago
- Python package for flexible generation of D-optimal experimental designs☆13Jun 6, 2023Updated 3 years ago
- Python version of the amazing Reaction Mechanism Generator (RMG).☆523Updated this week
- The database of chemical parameters used with Reaction Mechanism Generator☆124Updated this week
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆19Dec 8, 2020Updated 5 years ago
- Easy determine UNIFAC Groups☆13Oct 13, 2025Updated 7 months ago
- A Django-powered website for Reaction Mechanism Generator (RMG)☆22Mar 30, 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.
- "Just as the arts of tanning and dyeing were practiced long before the scientific principles upon which they depend were known, so also t…☆17Jun 30, 2019Updated 6 years ago
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆92Mar 4, 2026Updated 3 months ago
- 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…☆11Jan 30, 2019Updated 7 years ago
- script to visualize results from an ORCA NEB run☆18Feb 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
- ☆32Oct 19, 2023Updated 2 years ago
- Functional & Object-Oriented programs to rule all distillation columns! based on McCabe-Thiele method☆10Jul 31, 2025Updated 10 months ago
- 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…☆19Jun 25, 2024Updated last year
- 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.
- Materials for my undergraduate course on Chemical Engineering Kinetics and Reactor Design at Northeastern University☆18Jan 10, 2024Updated 2 years ago
- Python interface to the ChemKED database format☆18Jul 31, 2024Updated last year
- ☆14Oct 16, 2022Updated 3 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago
- The Ops Compendium is a resource list for dataops, mlops, devops, etc, which I'm actively curating in order to expand my knowledge, it is…☆25Jun 13, 2025Updated 11 months 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
- A reinforcement learning library for material and molecule optimization☆33Apr 4, 2024Updated 2 years ago
- Predict optical properties of molecules with machine learning.☆37Jul 30, 2025Updated 10 months ago
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆36Nov 24, 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.
- ☆17May 11, 2026Updated 3 weeks ago
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆13Jun 27, 2025Updated 11 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…☆33Jun 1, 2026Updated last week
- Sustain-LC is a benchmarking environment for traditional and reinforcement learning based controls as well as LLM based control☆34Aug 7, 2025Updated 10 months ago
- Domain-PFP is a self-supervised method to predict protein functions from the domains☆13Nov 1, 2023Updated 2 years ago