Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.
☆19Jun 8, 2026Updated 2 months ago
Alternatives and similar repositories for lematerial-fetcher
Users that are interested in lematerial-fetcher are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆28Aug 20, 2025Updated last year
- An open-source multi-modal toolbox for extracting structured synthesis procedures and performance data from materials science literature …☆43Aug 27, 2026Updated last week
- Benchmark for generative models for materials☆54Apr 27, 2026Updated 4 months ago
- DeepSPIN method for deep learning potential of magnetic systems☆21Jun 4, 2023Updated 3 years ago
- ☆18Sep 12, 2023Updated 2 years 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.
- Tutorial files to work with ML for the charge density in molecules and solids☆12Feb 22, 2023Updated 3 years ago
- ☆18Feb 26, 2026Updated 6 months ago
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆43Feb 11, 2025Updated last year
- ☆12Nov 19, 2023Updated 2 years ago
- A python library for calculating materials properties from the PES☆150Updated this week
- List of Geometric GNNs for 3D atomic systems☆124Feb 29, 2024Updated 2 years ago
- A benchmark for Large Atomistic Models☆20Updated this week
- DFT dataset and machine learning models for high entropy alloys☆33Apr 19, 2024Updated 2 years ago
- CGCNN with personal modifications for defect calculations☆15Jan 19, 2024Updated 2 years 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 Host-Guided Generation☆19Apr 24, 2025Updated last year
- Enhanced sampling in the representation space of atomistic neural networks.☆17Updated this week
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆249Updated this week
- ☆16Sep 20, 2024Updated last year
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆19Apr 13, 2026Updated 4 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 11 months ago
- QUASAR is an autonomous system for end-to-end scientific discovery, integrating LLMs with simulation tools to automate workflows across q…☆19May 26, 2026Updated 3 months ago
- Main page for the 'atomagined' database. The 'atomagined' database contains synthetic atomic-resolution HAADF STEM images for select ICSD…☆15Mar 9, 2020Updated 6 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.
- Tensor Atomic/Edge Cluster Expansion☆64Updated this week
- Data Science for Materials - Collection of Open Educational Resources☆17Jun 18, 2025Updated last year
- ☆26Dec 11, 2024Updated last year
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆28Jul 15, 2026Updated last month
- EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers☆119Apr 17, 2026Updated 4 months ago
- A foundational potential energy dataset for materials☆59Aug 4, 2026Updated last month
- MACE foundation models (MP, OMAT, mh-1)☆302Aug 26, 2026Updated last week
- Space group equivariant crystal diffusion [NeurIPS 2025]☆28Apr 24, 2026Updated 4 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆38Jun 29, 2023Updated 3 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.
- [Nature npj Computational Materials] This is the official code for the paper “Virtual Characterization via Knowledge-Enhanced Representat…☆16Aug 17, 2026Updated 2 weeks ago
- ☆18May 22, 2025Updated last year
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Oct 22, 2024Updated last year
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆32Dec 30, 2025Updated 8 months ago
- A text-guided diffusion model for crystal structure generation☆81May 30, 2025Updated last year
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆32Feb 14, 2025Updated last year
- Open Source, Prepare a molecular dynamic simulation from scratch without installing local VMD, use LigParGen for topology, it is one of t…☆14Jul 3, 2023Updated 3 years ago