parkjunkil / MOFFUSIONLinks
Multi-modal conditioning diffusion model for MOFs generation
☆36Updated this week
Alternatives and similar repositories for MOFFUSION
Users that are interested in MOFFUSION are comparing it to the libraries listed below
Sorting:
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆36Updated 10 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆25Updated last year
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆21Updated 6 months ago
- AI for crystal materials☆86Updated this week
- A text-guided diffusion model for crystal structure generation☆64Updated 4 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆61Updated last year
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆132Updated 6 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆51Updated 4 months ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆78Updated last year
- An object-aware diffusion model for generating chemical reactions☆140Updated last year
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆56Updated 2 years ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆24Updated last year
- G-SchNet extension for SchNetPack☆61Updated 11 months ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆50Updated 2 weeks ago
- ☆18Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated 2 years ago
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆23Updated 2 years ago
- A Reinforcement Framework for Inverse Design of MOFs☆32Updated last year
- A repository for implementing graph network models based on atomic structures.☆95Updated last year
- ☆14Updated 2 years ago
- Polymer property prediction with GNNs and deep set learning.☆24Updated 2 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆35Updated this week
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 11 months ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆112Updated last year
- Diffusion model for transition state prediction☆44Updated last year
- Diffusion Probabilistic CDVAE☆25Updated last year
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆16Updated last year
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆51Updated 2 years ago
- Algorithms to analyze and predict molecular structures☆21Updated 3 months ago