Thermodynamics-informed symbolic regression
☆15Jan 11, 2026Updated 9 months ago
Alternatives and similar repositories for TiSR
Users that are interested in TiSR are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Jul 22, 2025Updated last year
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆38Jun 18, 2025Updated last year
- Generic lab tools in Julia☆15Apr 20, 2026Updated 6 months ago
- Code for reviewers☆12Oct 8, 2024Updated 2 years ago
- Open-Source Python library for thermoynamic systems design, modelling and simulation☆16Oct 14, 2026Updated last week
- 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.
- An automated framework for generating optimized partial charges for molecules☆40Oct 5, 2026Updated 2 weeks ago
- An open source cross-platform software for the computation of in solution and precipitation chemical equilibria☆16Apr 16, 2026Updated 6 months ago
- A demo code for implementation of differentiable thermodynamic modeling in JAX.☆11Sep 18, 2021Updated 5 years ago
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated 2 years ago
- FLEXPART for WRF☆15May 31, 2013Updated 13 years ago
- ☆17Apr 22, 2025Updated last year
- Molecular inferring project developed by the Discrete Mathematics Lab at Kyoto University.☆10May 26, 2026Updated 4 months ago
- Framework for steady state vapor compression simulation☆22Jul 20, 2026Updated 3 months ago
- Process the results of your StagYY runs☆16Jul 2, 2026Updated 3 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.
- Thermodynamic databases for use with the Theriak-Domino suite of programs☆14Jun 6, 2025Updated last year
- Reaction Network Graph Theoretical tool for automated mechanistic studies in computational homogeneous catalysis☆11Oct 3, 2023Updated 3 years ago
- ChatGPDB Service☆12Mar 30, 2023Updated 3 years ago
- Scripts for calculating RESP charges with Gaussian, starting only with .xyz file of your compound. Generate .mol2, .frcmod and .pdb with …☆10Mar 26, 2019Updated 7 years ago
- SAPT energy calculator built using MDAnalysis and Psi4☆16May 26, 2025Updated last year
- Legacy repository of the FREZCHEM code developed by Giles Marion (Desert Research Institute) et al., since the frezchem.dri.edu page is n…☆14Oct 14, 2021Updated 5 years ago
- Scripts to calculate elastic properties from a set of strained structures☆22Jul 3, 2024Updated 2 years ago
- ☆11Oct 28, 2022Updated 3 years ago
- Meta-learning approach for human-interpretable formulas generation☆10Apr 24, 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.
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago
- A framework for processing adsorption data and isotherm fitting☆92Mar 19, 2026Updated 7 months ago
- Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for moderni…☆18Sep 10, 2017Updated 9 years ago
- A library that allows your Arduino to communicate via Modbus protocol, acting as a slave. Over serial line implementation (OSI 2/OSI 1)☆22Jun 5, 2023Updated 3 years ago
- Molecular visualization for MDAnalysis with MolecularNodes in Blender☆21Mar 30, 2025Updated last year
- Set of scripts to automate the calculation of crystal lattice energies.☆14Oct 17, 2024Updated 2 years ago
- Python wrappers around NREL SOLPOS and SPECTRL2 models implemented in c☆18May 24, 2019Updated 7 years ago
- The core of the SEAMM environment and graphical interface.☆17Updated this week
- ☆18Feb 26, 2026Updated 7 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆14May 9, 2024Updated 2 years ago
- Reaktoro's documentation using Jupyter Book☆17Jan 18, 2024Updated 2 years ago
- A short course designed to introduce key concepts in computational thermodynamics to chemical engineers☆35May 22, 2026Updated 4 months ago
- ☆13Oct 11, 2023Updated 3 years ago
- a julia reactive programming environment in vscode☆25Oct 4, 2026Updated 2 weeks ago
- the simple alchemistry test set☆10Nov 20, 2025Updated 11 months ago
- ☆11Jun 13, 2023Updated 3 years ago