A curated list of awesome resources on using machine learning and data science for discovery of physical laws
☆40Jun 22, 2020Updated 6 years ago
Alternatives and similar repositories for Awesome-Machine-learning-for-discovery-of-physical-laws
Users that are interested in Awesome-Machine-learning-for-discovery-of-physical-laws are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Machine learning model for crystal lattice constant prediction☆14Mar 17, 2021Updated 5 years ago
- An attention-based deep neural network for thermoelectric transport properties☆18Apr 5, 2023Updated 3 years ago
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 3 years ago
- The Element Movers Distance for chemical composition similarity☆38Aug 20, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- ☆15Apr 8, 2023Updated 3 years ago
- Code to estimate Renormalized Mutual Information in simple settings☆13Mar 8, 2021Updated 5 years ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 10 months ago
- ☆18Mar 24, 2025Updated last year
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆23May 7, 2026Updated 3 months ago
- Predict materials properties using only the composition information!☆132Apr 23, 2023Updated 3 years ago
- ☆19Oct 27, 2020Updated 5 years ago
- ☆26Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- 2025 LLM Hackathon for Applications in Materials and Chemistry☆28Sep 15, 2025Updated 11 months ago
- Crystal Graph Neural Networks☆109Apr 20, 2024Updated 2 years ago
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 3 years ago
- LimeSoup is a package to parse HTML or XML papers from different publishers.☆20Jan 4, 2021Updated 5 years ago
- Data-driven risk-conscious thermoelectric materials discovery☆18Jul 31, 2026Updated 3 weeks ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆87Dec 17, 2024Updated last year
- ☆22Apr 3, 2024Updated 2 years ago
- Data and Code supporting the eBook by Castro and Vanderwel (2021)☆20Feb 7, 2022Updated 4 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆34Updated this week
- Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524…☆10Apr 24, 2022Updated 4 years ago
- Utility to compile string of chemical terms into data structure with chemical formula and composition☆13Sep 17, 2021Updated 4 years ago
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆20Jul 4, 2023Updated 3 years ago
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆11Aug 25, 2021Updated 5 years ago
- ☆16Aug 5, 2022Updated 4 years ago
- CME-ChatGPT Material Explorer☆23Jul 10, 2025Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆23Jun 10, 2024Updated 2 years ago
- Group project "Algorithms for large-scale optimal transport". Implement ADMMs and Sinkhorn's Algorithms.☆11Jan 28, 2019Updated 7 years 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.
- The Wren sits on its Roost in the Aviary.☆63Jul 6, 2026Updated last month
- Main/top level repository for ICARUS specific code☆11Updated this week
- 📚 MIT Manipal Data Science Engineering: Your go-to resource hub for lab study materials, code, and more. Enhance your learning with this…☆12Sep 3, 2024Updated last year
- Plots for "Machine-learned and codified synthesis parameters of oxide materials" in the journal Scientific Data☆14Jul 6, 2017Updated 9 years ago
- Code to accompany the paper "Discovery of Physics from Data: Universal Laws and Discrepancies"☆27Jun 25, 2020Updated 6 years ago
- [HYU-Mechanical Engineering] Thermo Fluid Dynamics Experiment Lecture Code☆35Nov 22, 2023Updated 2 years ago
- Intelligent Scientific Agent for Materials Design☆24Aug 21, 2026Updated last week