Benchmark for generative models for materials
☆49Apr 27, 2026Updated 2 months 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:
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆13Jul 8, 2025Updated 11 months ago
- 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 last year
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆26May 26, 2026Updated last month
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆29Jun 17, 2026Updated 2 weeks 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)☆96Jun 5, 2026Updated 3 weeks ago
- ☆13Oct 15, 2023Updated 2 years ago
- WPPNets and WPPFlows: The Power of Wasserstein Patch Priors for Superresolution.☆11Sep 19, 2025Updated 9 months ago
- Predict materials properties using only the composition information!☆17Jun 4, 2025Updated last year
- 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.
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- ☆26Aug 20, 2025Updated 10 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆24Dec 8, 2020Updated 5 years ago
- Universal machine-learning models for advanced atomistic simulations☆218Jun 15, 2026Updated 2 weeks ago
- Python package for detecting spin space group on top of spglib☆22Oct 29, 2025Updated 8 months ago
- Building MD simulations for polymer electrolyte system☆14Oct 6, 2025Updated 8 months ago
- Implementation of the paper "Neural Wasserstein Gradient Flows for Discrepancies with Riesz Kernels"☆11Mar 18, 2024Updated 2 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 8 months ago
- ☆13Jan 4, 2024Updated 2 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.
- Minimal, fast + educational reimplementation of the TabICLv2 architecture☆94Jun 10, 2026Updated 3 weeks ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆29Feb 14, 2025Updated last year
- Generate symmetrized force constants☆29Jun 22, 2026Updated last week
- Phonons from ML force fields☆25Mar 22, 2026Updated 3 months ago
- Point Edge Transformer☆35Sep 28, 2025Updated 9 months ago
- Random walk unit with memory☆22Sep 26, 2024Updated last year
- train and use graph-based ML models of potential energy surfaces☆126May 7, 2026Updated last month
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- pywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and…☆25Sep 29, 2025Updated 9 months 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.
- This repository contains the official PyTorch implementation of MatRIS.☆41Nov 7, 2025Updated 7 months ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated 5 months ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- [NeurIPS 2024] Official implementation of NeurIPS 2024 paepr "Flow Priors for Linear Inverse Problems via Iterative Corrupted Trajectory …☆26Feb 24, 2025Updated last year
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Jun 26, 2026Updated last week
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆98Sep 20, 2025Updated 9 months ago
- ☆351Updated this week