Use time-splits for Materials Project entries for generative modeling benchmarking.
☆13Mar 12, 2026Updated 3 months ago
Alternatives and similar repositories for mp-time-split
Users that are interested in mp-time-split 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 interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 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
- ☆42Jun 1, 2026Updated last week
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- ☆17Mar 24, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Library for Crystal Symmetry in Rust☆75Updated this week
- ☆12Feb 2, 2024Updated 2 years ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆36Apr 29, 2026Updated last month
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆22Mar 20, 2022Updated 4 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Jun 1, 2026Updated last week
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Jun 1, 2026Updated last week
- Spring 2024 - Data Science and Machine Learning in Chemical Engineering☆12Feb 14, 2024Updated 2 years ago
- Library for computing anisotropy extension to SOAP descriptors☆11Updated this week
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 5 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆10Sep 26, 2025Updated 8 months ago
- ☆30Nov 12, 2025Updated 7 months ago
- Coarse-grained Diffusion for Metal-Organic Framework Design☆63Jun 18, 2024Updated last year
- Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.☆14Feb 23, 2026Updated 3 months ago
- Simmate: a full-stack framework for chemistry research.☆37Jun 2, 2026Updated last week
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16May 15, 2026Updated 3 weeks ago
- On-the-fly generator of space-group irreducible representations☆58Updated this week
- materials science related animations☆13Jan 9, 2025Updated last year
- Official Repository of the Optados code☆25Nov 14, 2025Updated 6 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆111Dec 15, 2023Updated 2 years ago
- ☆18Jul 29, 2024Updated last year
- This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"☆14Jul 22, 2024Updated last year
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- Tools for implementing and consuming OPTIMADE APIs in Python☆91Jun 1, 2026Updated last week
- Python package to interact with high-dimensional representations of the chemical elements☆51May 3, 2026Updated last month
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆19Nov 28, 2023Updated 2 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆173Apr 14, 2025Updated last year
- Source code for the https://workflows.community website☆17Updated this week
- 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.
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 6 months ago
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆20Updated this week
- A collection of files related to machine learning force fields☆23Oct 25, 2023Updated 2 years ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆118Mar 9, 2026Updated 3 months ago
- ☆16Aug 5, 2022Updated 3 years ago