A complete software environment for modeling and simulating materials, tailored for a MOF chemist
☆51Oct 20, 2026Updated this week
Alternatives and similar repositories for Crystal-Builder
Users that are interested in Crystal-Builder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆16Dec 24, 2025Updated 9 months ago
- ASE calculator for RASPA2☆12Feb 1, 2025Updated last year
- ☆22Oct 13, 2026Updated last week
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆21Sep 17, 2026Updated last month
- PSA simulation code☆22Jan 27, 2023Updated 3 years 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.
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- A free and open platform for interactive benchmarking and simulations using machine learning interatomic potentials☆24Updated this week
- ☆18Feb 1, 2023Updated 3 years ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Sep 24, 2026Updated 3 weeks ago
- MACE-Field - Fast and accurate machine learning interatomic potentials under an external electric field for predicting dielectric propert…☆33Sep 21, 2026Updated last month
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆25Aug 4, 2026Updated 2 months ago
- ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…☆36Sep 2, 2025Updated last year
- Totally Open Pressure Swing Adsorption Intensification Laboratory☆21Sep 16, 2026Updated last month
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆23Updated this week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 7 months ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 6 years ago
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆16Oct 2, 2026Updated 2 weeks ago
- LAMMPS-GUI - The graphical interface for learning and running LAMMPS☆17Oct 12, 2026Updated last week
- macOS desktop app and Quick Look extension for molecular previews: Mol* 3D, xyzrender SVG, and RDKit grids.☆69Updated this week
- ☆29Nov 3, 2025Updated 11 months ago
- A collection of tools I created related to the molecular simulations package RASPA.☆13Dec 4, 2023Updated 2 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆30May 8, 2025Updated last year
- ☆13Mar 24, 2025Updated last year
- 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.
- An AiiDA workflow that implements a fully automated active learning scheme to train a neural network interatomic potential☆14Jul 2, 2026Updated 3 months ago
- Development of DFT-trained machine-learning interatomic potentials for lithium niobate, with applications to large-scale MD simulations i…☆15Jul 23, 2026Updated 2 months ago
- Basic sanity checks for MOFs.☆35Jul 6, 2026Updated 3 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Oct 9, 2026Updated last week
- Allegro-pol extends the Allegro architecture to model the electric response of materials☆41May 30, 2026Updated 4 months ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 3 years ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- ☆18Sep 29, 2026Updated 3 weeks ago
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 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.
- ARCHIVED legacy compatibility bridge. Active development continues at SergeiNikolenko/Burette.☆21Sep 11, 2026Updated last month
- ☆35Jul 25, 2025Updated last year
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆18Feb 21, 2024Updated 2 years ago
- Modification of RASPA2 code for GC-TMMC simulations☆14Apr 18, 2024Updated 2 years ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆101Aug 17, 2026Updated 2 months ago
- ☆39Oct 11, 2026Updated last week
- The MOF website for property prediction and community engagement.☆43Oct 24, 2025Updated 11 months ago