☆40Apr 22, 2024Updated 2 years ago
Alternatives and similar repositories for TS-new
Users that are interested in TS-new are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Jul 13, 2022Updated 4 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆63Oct 23, 2026Updated last week
- The CHiMaD Phase Field Community Website☆66Jul 23, 2026Updated 3 months ago
- An open-source framework to treat strongly correlated materials using DMFT.☆64Jun 12, 2026Updated 4 months ago
- HyperSpy Jupyter Notebooks demos☆65May 17, 2024Updated 2 years 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.
- Public release of data and code for materials synthesis generation☆77Aug 11, 2022Updated 4 years ago
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆88Jan 22, 2026Updated 9 months ago
- Python Materials Discovery Framework☆76Feb 2, 2024Updated 2 years ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆95Updated this week
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆90Jul 29, 2026Updated 3 months ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆84Dec 14, 2021Updated 4 years ago
- A framework for processing adsorption data and isotherm fitting☆92Updated this week
- Statistical Mechanics on Lattices☆101Updated this week
- MODNet: a framework for machine learning materials properties☆114May 2, 2025Updated last year
- 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 PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".☆85Mar 24, 2023Updated 3 years ago
- General purpose tools for high-throughput catalysis☆107May 20, 2025Updated last year
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆107Nov 24, 2024Updated last year
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆104Jan 13, 2026Updated 9 months ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆128Oct 8, 2024Updated 2 years ago
- Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project …☆133Jun 10, 2026Updated 4 months ago
- Materials Knowledge System in Python☆124Jan 12, 2023Updated 3 years ago
- Automatic generation of crystal structure descriptions.☆142Jun 15, 2026Updated 4 months ago
- Open-source library for analyzing the results produced by ABINIT☆143Oct 3, 2026Updated 3 weeks 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.
- Runtime type checking for React props and similar objects☆4,445May 17, 2024Updated 2 years ago
- Predict materials properties using only the composition information!☆134Apr 23, 2023Updated 3 years ago
- Python package to aid materials design and informatics☆148Oct 25, 2026Updated last week
- A high-performance framework for solving phonon and electron Boltzmann equations☆125Sep 22, 2026Updated last month
- A suite of computational materials science tools.☆146Jun 29, 2026Updated 4 months ago
- Archived. Course continues as AI for Materials: https://github.com/orgs/AIforMaterials☆169Oct 12, 2026Updated 3 weeks ago
- An interactive structure/property explorer for materials and molecules☆185Oct 22, 2026Updated last week
- Electronic transport properties from first-principles calculations☆164Oct 19, 2026Updated 2 weeks ago
- ChemML is a machine learning and informatics program suite for the chemical and materials sciences.☆180Oct 6, 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.
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆205Oct 22, 2026Updated last week
- Matbench: Benchmarks for materials science property prediction☆224Updated this week
- Development of the Failure Criteria for Composites using ABAQUS Subroutines (UMAT/VUMAT)☆232Jul 28, 2021Updated 5 years ago
- Materials science with Python at the atomic-scale☆249Oct 26, 2026Updated last week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆265Jul 18, 2024Updated 2 years ago
- Heavyweight plotting tools for ab initio calculations☆261Sep 3, 2026Updated last month
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆290Feb 11, 2025Updated last year