ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Science 2024)
☆39Sep 2, 2025Updated last year
Alternatives and similar repositories for zeosyn_dataset
Users that are interested in zeosyn_dataset are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular crystal structure prediction with flow matching and RL☆11Oct 9, 2026Updated 3 weeks ago
- ☆34Feb 17, 2022Updated 4 years ago
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆45Feb 10, 2026Updated 8 months ago
- Machine learning potentials for modeling alloys across compositions☆13Oct 12, 2026Updated 3 weeks ago
- ☆10Apr 22, 2021Updated 5 years ago
- 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.
- ☆35Jul 25, 2025Updated last year
- Predicting Synthesis Recipes of Inorganic Crystal Materials using Elementwise Template Formulation☆11Apr 19, 2024Updated 2 years ago
- The MOF website for property prediction and community engagement.☆43Oct 24, 2025Updated last year
- ☆16Dec 24, 2025Updated 10 months ago
- PSA simulation code☆23Jan 27, 2023Updated 3 years ago
- ☆43Jan 17, 2025Updated last year
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆22Sep 17, 2026Updated last month
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 6 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- Jupyter notebooks describing data analysis procedures for my published/submitted papers☆14Jan 16, 2021Updated 5 years ago
- Grand-Canonical Nudged Elastic Band☆11Sep 6, 2022Updated 4 years ago
- ☆19Feb 1, 2023Updated 3 years ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- C++ data engine for PrexSyn☆11Sep 11, 2026Updated last month
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 6 years ago
- CoRE-MOF as a Python package☆26Nov 21, 2024Updated last year
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆24Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆185Oct 29, 2024Updated 2 years ago
- A complete software environment for modeling and simulating materials, tailored for a MOF chemist☆55Updated this week
- Codes for text-mined solid-state reactions dataset☆100Oct 7, 2023Updated 3 years ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆42Dec 17, 2024Updated last year
- A collection of tools I created related to the molecular simulations package RASPA.☆13Dec 4, 2023Updated 2 years ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆47Oct 14, 2026Updated 3 weeks ago
- A recommendation system for MOFs leveraging only PXRDs and precursors☆12Sep 13, 2025Updated last year
- 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
- MXene Database. Contains structural and bandgap data for over 4000 MXene structures.☆16Apr 20, 2026Updated 6 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.
- ASE calculator for RASPA2☆12Feb 1, 2025Updated last year
- ☆12Oct 21, 2024Updated 2 years ago
- TEM data quantification library through a model-based approach☆20Updated this week
- GPU Monte Carlo Simulation Code with a taste of RASPA☆101Oct 23, 2026Updated 2 weeks ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 3 years ago
- ☆13Mar 24, 2025Updated last year
- Totally Open Pressure Swing Adsorption Intensification Laboratory☆23Sep 16, 2026Updated last month