Dashboard to explore CoRE MOF database
☆13Jul 5, 2020Updated 6 years ago
Alternatives and similar repositories for CoREMOF_dashboard
Users that are interested in CoREMOF_dashboard are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合，可用于并行计算等温线、高通量模拟，zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…☆58Apr 1, 2025Updated last year
- CoRE-MOF as a Python package☆26Nov 21, 2024Updated last year
- ☆41Dec 16, 2021Updated 4 years ago
- ☆35Aug 3, 2021Updated 5 years ago
- ☆35Jul 25, 2025Updated last year
- 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.
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆23Nov 13, 2021Updated 4 years ago
- Classical molecular simulation code☆183Jul 13, 2024Updated 2 years ago
- 10.26434/chemrxiv-2022-qqxd1☆10Oct 26, 2022Updated 4 years ago
- ☆73Apr 7, 2021Updated 5 years ago
- AiiDA plugin for Gaussian quantum chemistry software☆12Oct 15, 2026Updated 3 weeks ago
- python wrapper for fdmnes data input/output☆14Feb 16, 2026Updated 8 months ago
- An interface program between Gaussian and CFour.☆14Sep 18, 2023Updated 3 years ago
- ☆79Mar 13, 2024Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆67Aug 11, 2026Updated 2 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.
- BET Surface Identification - a program that fully implements the rouquerol criteria☆17Jul 6, 2023Updated 3 years ago
- ☆15Aug 30, 2024Updated 2 years ago
- Invoke Multiwfn to compute inter-molecule charge transfer integral using site-energy correction method.☆12Mar 8, 2026Updated 8 months ago
- ☆39Nov 27, 2024Updated last year
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 3 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 6 years ago
- AiiDA plugin that makes running shell commands easy.☆16Aug 26, 2026Updated 2 months ago
- Tools to facilitate NLP of scientific literature☆20Nov 29, 2021Updated 4 years ago
- Mirror of http://zeoplusplus.org/☆15May 3, 2018Updated 8 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆12Updated this week
- A universal file format for gas adsorption experiments☆22Oct 21, 2026Updated 2 weeks ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆66Dec 29, 2023Updated 2 years ago
- Active learning of GNN partial charge predictors for MOFs☆11Apr 17, 2024Updated 2 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆128May 23, 2026Updated 5 months ago
- Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of p…☆13Feb 26, 2024Updated 2 years ago
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- ACL'2024-Main: Synergetic Event Understanding: A Collaborative Approach to Cross-Document Event Coreference Resolution with Large Languag…☆12Sep 19, 2025Updated last year
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 6 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Tools for performing vibrational analysis on molecular systems.☆21Sep 15, 2023Updated 3 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆66Jul 2, 2026Updated 4 months ago
- interactive SDF Viewer presented originally at the RDKit UGM 2014☆21Jun 23, 2017Updated 9 years ago
- A knowledge graph unifying computational and experimental data for MOFs☆52Nov 14, 2025Updated 11 months ago
- Parallelization of the commonly used MobCal suite to calculate ion mobilities and collision cross sections☆16Oct 16, 2026Updated 3 weeks ago
- ☆18May 31, 2024Updated 2 years ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆12Nov 22, 2024Updated last year