Benchmark for generative models for materials
☆38Mar 10, 2026Updated 2 weeks ago
Alternatives and similar repositories for lemat-genbench
Users that are interested in lemat-genbench are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated 11 months ago
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.☆21Nov 16, 2022Updated 3 years ago
- ☆18Sep 12, 2023Updated 2 years ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- GRACE models and gracemaker (as implemented in TensorPotential package)☆88Mar 6, 2026Updated 2 weeks ago
- Predict materials properties using only the composition information!☆17Jun 4, 2025Updated 9 months ago
- Universal interatomic potentials for advanced materials modeling☆174Mar 13, 2026Updated last week
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- ☆25Aug 20, 2025Updated 7 months ago
- Python package for detecting spin space group on top of spglib☆20Oct 29, 2025Updated 4 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆43Oct 17, 2025Updated 5 months ago
- This repository contains the official PyTorch implementation of MatRIS.☆28Nov 7, 2025Updated 4 months ago
- ☆12May 12, 2023Updated 2 years ago
- Generate symmetrized force constants☆27Mar 17, 2026Updated last week
- Phonons from ML force fields☆23Updated this week
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆39Dec 17, 2024Updated last year
- train and use graph-based ML models of potential energy surfaces☆122Mar 9, 2026Updated 2 weeks ago
- Point Edge Transformer☆34Sep 28, 2025Updated 5 months ago
- Random walk unit with memory☆22Sep 26, 2024Updated last year
- Orchestrates the tasks in a Substra network☆17Jan 16, 2025Updated last year
- ☆25May 7, 2025Updated 10 months ago
- pywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and…☆25Sep 29, 2025Updated 5 months ago
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆38Mar 17, 2026Updated last week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated last month
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Find the corner radius of device☆13Nov 8, 2024Updated last year
- Official Implementation of Half-Hop☆20Oct 10, 2023Updated 2 years ago
- ☆291Oct 31, 2025Updated 4 months ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆97Sep 20, 2025Updated 6 months ago
- Exploring the space of drug combinations to discover synergistic drugs using Active Learning☆24Aug 13, 2024Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Jun 1, 2024Updated last year
- A toolkit for visualizations in materials informatics.☆307Updated this week
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆27May 25, 2023Updated 2 years ago
- [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget and [arXiv'26] Phonon fine-tuning (PFT)☆70Updated this week
- Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyT…☆14Jul 26, 2023Updated 2 years ago