[ICML 2026] Materials Discovery Environment: Benchmarking Agentic systems for Closed-Loop Materials Discovery
☆18May 8, 2026Updated 2 months ago
Alternatives and similar repositories for MADE
Users that are interested in MADE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tutorial files to work with ML for the charge density in molecules and solids☆12Feb 22, 2023Updated 3 years ago
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆32Jun 22, 2026Updated 3 weeks ago
- Lightweight diffusion transformer for crystalline materials discovery☆24Updated this week
- ☆16Sep 20, 2024Updated last year
- Code and data used to create and evaluate LLM4Mat-Bench☆35Jan 31, 2026Updated 5 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆40Jul 13, 2026Updated last week
- Topological analysis for Li local space, site, pathway in crystal structures☆14Jan 21, 2020Updated 6 years ago
- A Benchmark for Extracting Experiments from Scientific Literature☆17Jun 3, 2026Updated last month
- Masgent: Materials Simulation Agent☆24May 7, 2026Updated 2 months ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆29Jun 8, 2026Updated last month
- Official implementation of MultiMat (Newton 2025)☆24Mar 10, 2025Updated last year
- Utility for applying the distortion symmetry method.☆28Feb 21, 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.
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆52Jun 30, 2026Updated 2 weeks ago
- ☆14Sep 14, 2025Updated 10 months ago
- ☆10Jun 17, 2021Updated 5 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆88May 6, 2022Updated 4 years ago
- ☆30Nov 12, 2025Updated 8 months ago
- ☆15Nov 29, 2023Updated 2 years ago
- ☆14Dec 14, 2024Updated last year
- A RL framework for Crystal Structure Generation using GRPO☆59May 14, 2026Updated 2 months ago
- Source code of "Point Set Voting for Partial Point Clouds Analysis"☆15Jan 5, 2021Updated 5 years ago
- 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.
- ☆10Jul 5, 2021Updated 5 years ago
- ☆12Aug 30, 2023Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- ☆12Apr 17, 2025Updated last year
- ☆13Apr 12, 2023Updated 3 years ago
- ☆11Oct 18, 2019Updated 6 years ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆54Updated this week
- A Foundation Model for Crystal Structure Generation and Prediction☆149Mar 31, 2026Updated 3 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.
- Implementation of corrections for diffusion coefficients in membrane simulations.☆10Aug 2, 2022Updated 3 years ago
- PINY cleanup and new feature integration.☆13Dec 9, 2016Updated 9 years ago
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆40Mar 9, 2026Updated 4 months ago
- Estimate the self-diffusion coefficient of a trajectory with a Generalized Least Squares (GLS) optimization procedure.☆16Aug 12, 2022Updated 3 years ago
- Repository of the data for PLUMED Masterclass 22.3☆15Jul 10, 2024Updated 2 years ago
- ☆14Oct 9, 2022Updated 3 years ago
- 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