Moment Invariants Local Atomic Descriptor
☆35Aug 20, 2024Updated 2 years ago
Alternatives and similar repositories for milad
Users that are interested in milad are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- Object storage with versioning made simple☆19Apr 15, 2025Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- e3nn tutorial for Materials Research Society Fall Meeting 2021☆14Nov 29, 2021Updated 4 years ago
- NIST Interatomic Potential Repository property calculation tools☆13Aug 6, 2026Updated 3 weeks 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.
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆97Updated this week
- Material of the seminar "Julia for Materials Modelling"☆30Jun 23, 2023Updated 3 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆35Aug 10, 2022Updated 4 years ago
- ☆112Updated this week
- ☆22May 7, 2025Updated last year
- ☆43Updated this week
- Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020☆11May 4, 2021Updated 5 years ago
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 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.
- ☆14Sep 10, 2024Updated last year
- Python library written in C++ for calculation of local atomic structural environment☆70Apr 30, 2026Updated 4 months ago
- Efficient misspecification uncertainties for linear regression☆18Aug 25, 2026Updated last week
- ☆12Sep 9, 2020Updated 5 years ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.☆15Jul 31, 2026Updated last month
- ☆14Dec 14, 2024Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- A graph database tool for experimental data in materials science and chemistry.☆20Jan 7, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆474Apr 18, 2026Updated 4 months ago
- Software for evaluating pareto-optimal synthesis pathways☆23Jun 10, 2024Updated 2 years ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 8 months ago
- Crystallography Companion Agent☆21Jul 8, 2022Updated 4 years ago
- Automated curve data extraction tool☆13Mar 23, 2023Updated 3 years ago
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 2 years ago
- Computing representations for atomistic machine learning☆82Jul 22, 2026Updated last month
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Nov 19, 2025Updated 9 months ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44May 28, 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.
- ☆48Aug 25, 2026Updated last week
- AiiDA tutorials web site☆24Oct 2, 2025Updated 11 months ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 4 years ago
- A dataset of Curie temperatures automatically extracted from scientific literature with the use of the BERT-PSIE pipeline☆15Aug 18, 2023Updated 3 years ago
- Probing the limitations of multimodal language models for chemistry and materials research☆25Feb 1, 2026Updated 7 months ago
- Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on☆24Jun 17, 2024Updated 2 years ago
- More efficient and faster version of pyscal☆31May 1, 2026Updated 4 months ago