parkjunkil / ZeoDiffLinks
☆20Updated last month
Alternatives and similar repositories for ZeoDiff
Users that are interested in ZeoDiff are comparing it to the libraries listed below
Sorting:
- Basic sanity checks for MOFs.☆33Updated 2 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Updated last year
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆27Updated 8 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆34Updated last year
- A molecular simulation package integrating MLFFs in MOFs for DAC☆41Updated 2 months ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 8 months ago
- A text-guided diffusion model for crystal structure generation☆71Updated 6 months ago
- MACE-OFF23 models☆56Updated 10 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆14Updated 10 months ago
- ☆24Updated last year
- Charge equilibration method for crystal structures☆15Updated 3 years ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆20Updated last year
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆22Updated 3 years ago
- ☆35Updated 3 years ago
- Python library for the construction of porous materials using topology and building blocks.☆80Updated 6 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆47Updated last week
- Algorithms to analyze and predict molecular structures☆24Updated 5 months ago
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆12Updated 2 years ago
- The MOF website for property prediction and community engagement.☆38Updated 2 months ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆32Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆65Updated 2 weeks ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆38Updated 2 years ago
- Original implementation of CSPML☆29Updated last year
- This repository contains the official PyTorch implementation of MatRIS.☆16Updated last month
- A RL framework for Crystal Structure Generation using GRPO☆36Updated last week
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆28Updated 4 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- An ecosystem for digital reticular chemistry☆52Updated last year
- Object-oriented refactoring of the YARP package☆25Updated last month
- ☆26Updated last year