Tsotsalas-Group / MOF_Literature_ExtractionLinks
☆30Updated 4 years ago
Alternatives and similar repositories for MOF_Literature_Extraction
Users that are interested in MOF_Literature_Extraction are comparing it to the libraries listed below
Sorting:
- Basic sanity checks for MOFs.☆32Updated 2 years ago
- Charge equilibration method for crystal structures☆14Updated 2 years ago
- ☆34Updated 3 years ago
- A Reinforcement Framework for Inverse Design of MOFs☆34Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆59Updated 2 months ago
- ☆25Updated 2 years ago
- CoRE-MOF as a Python package☆21Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 8 months ago
- ☆37Updated 3 years ago
- Encoding chemistry to interpret crystallographic data☆27Updated 3 weeks ago
- A system for rapid identification and analysis of metal-organic frameworks☆63Updated this week
- An ecosystem for digital reticular chemistry☆52Updated last year
- ☆17Updated 2 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆32Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆22Updated 3 years ago
- Heat capacity predictor for porous materials☆13Updated last year
- predicting charges on MOF atoms via a message passing MOFs☆24Updated 5 years ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Updated last year
- The MOF website for property prediction and community engagement.☆38Updated last month
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆13Updated 10 months ago
- AiiDA workflows for the LSMO laboratory at EPFL☆10Updated 2 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆40Updated last month
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- ☆23Updated last year
- ☆20Updated 3 weeks ago
- ☆19Updated 8 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆45Updated 3 weeks ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆18Updated last year
- Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures☆15Updated 3 years ago