dptech-corp / Uni-MOFLinks
☆35Updated last year
Alternatives and similar repositories for Uni-MOF
Users that are interested in Uni-MOF are comparing it to the libraries listed below
Sorting:
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆20Updated last year
- Universal Transfer Learning in Porous Materials, including MOFs.☆115Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆61Updated 4 months ago
- ☆15Updated 2 years ago
- Example scripts using the CSD Python API☆86Updated last month
- An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials☆22Updated 7 months ago
- ☆31Updated 2 years ago
- Basic sanity checks for MOFs.☆35Updated 2 years ago
- Large Language Models Material Miner☆51Updated 11 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆28Updated 6 months ago
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆24Updated 3 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆69Updated last month
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Updated last year
- SE(3) Equivariant Flow Matching for Property-Guided Conditional Molecular Generation.☆44Updated last week
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆27Updated 10 months ago
- MACE-OFF23 models☆59Updated last year
- Design of metal-organic frameworks using deep dreaming approaches☆19Updated 2 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Updated 11 months ago
- ☆52Updated 3 years ago
- ☆78Updated last year
- Deep Learning Potential model with Symmetry Invariant and Equivariant Descriptor☆17Updated last year
- ☆24Updated last year
- MLP training for molecular systems☆55Updated 2 weeks ago
- A GUI program for plotting Minimal energy path on potential energy surface.☆41Updated 5 years ago
- ☆20Updated 2 months ago
- AI-enhanced computational chemistry☆131Updated last month
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆38Updated 3 months ago
- ☆18Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆45Updated 2 years ago
- Heat capacity predictor for porous materials☆13Updated last year