☆27Apr 17, 2026Updated 2 months ago
Alternatives and similar repositories for Crystalyze
Users that are interested in Crystalyze are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Jun 1, 2026Updated 3 weeks ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆19Nov 16, 2025Updated 7 months ago
- Jupyter Book source files for MSD summer research internship.☆22Jul 6, 2023Updated 2 years ago
- Main repository for the Modular Autonomous Discovery for Science (MADSci) Framework☆61Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A graph database tool for experimental data in materials science and chemistry.☆21Jan 7, 2025Updated last year
- An easy (and fast) API for popular 3D molecular datasets!☆51May 3, 2026Updated last month
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- ☆18Jul 29, 2024Updated last year
- Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)☆11Apr 11, 2024Updated 2 years ago
- Python interface for the zeo++ package☆18Jun 1, 2026Updated 3 weeks ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- Arjuna Public Documentation for Users☆14May 25, 2023Updated 3 years ago
- AlabOS: Managing the workflows in the Autonomous lab☆54Feb 26, 2026Updated 4 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.
- flexible materials modeling and lab automation☆20Feb 20, 2026Updated 4 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- Code for automated fitting of machine learned interatomic potentials.☆151Jun 19, 2026Updated last week
- The core of the SEAMM environment and graphical interface.☆17Mar 19, 2026Updated 3 months ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- IBM Quantum Challenge Fall 2023☆10May 23, 2023Updated 3 years ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆61Sep 26, 2025Updated 9 months ago
- This is the repository corresponding to the TS-tools project.☆27Mar 3, 2026Updated 3 months ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Feb 14, 2024Updated 2 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- Designing new molecules as fast as possible with AI and simulation☆13Feb 12, 2025Updated last year
- BayesOpt + LIFT☆84May 15, 2025Updated last year
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- ExaWorks SDK☆11Feb 1, 2024Updated 2 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆24Dec 8, 2020Updated 5 years ago
- Code in QASM for quantum circuits and algorithms☆12Apr 4, 2017Updated 9 years ago
- ☆26Aug 20, 2025Updated 10 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)☆34May 4, 2026Updated last month
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Oct 22, 2024Updated last year
- Feff8L: Open Source theoretical EXAFS fitting standards☆18Nov 6, 2020Updated 5 years ago
- Savoie Group's Yet Another Reaction Program for high-thoughput chemical reaction characterization☆29Updated this week
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆25Apr 9, 2026Updated 2 months ago
- A template for Python packages. Developed by the @quantum-accelerators☆63Jun 17, 2026Updated last week
- Zambeze is a distributed task orchestration system to manage science application tasks across large-scale and edge computing systems.☆10Sep 13, 2024Updated last year