lamm-mit / MoleculeDiffusionTransformerLinks
Molecular generation using diffusion models and autoregressive transformer models
☆13Updated last year
Alternatives and similar repositories for MoleculeDiffusionTransformer
Users that are interested in MoleculeDiffusionTransformer are comparing it to the libraries listed below
Sorting:
- Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implement…☆17Updated last year
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆45Updated 2 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆42Updated last year
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Updated last year
- FS-GNNTR: Few-shot Learning with Transformers via Graph Embeddings for Molecular Property Prediction☆19Updated 5 months ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Updated last year
- ☆23Updated last year
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆68Updated 2 years ago
- ☆39Updated last month
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆80Updated last year
- Molecular Hypergraph Neural Network☆38Updated 2 months ago
- ☆39Updated last year
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆45Updated 8 months ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆24Updated 10 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆47Updated 2 years ago
- ☆35Updated 5 months ago
- A repository for the LLM-Prop implementation☆48Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆21Updated 2 months ago
- A deep neural network with hybrid architecture (EGNN + Transformer) for molecular properties prediction.☆20Updated last year
- Guided Diffusion Model for Molecular Inverse Design☆20Updated last year
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆54Updated 2 years ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆60Updated 3 months ago
- MDM☆56Updated last year
- PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆32Updated 4 years ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆77Updated 4 months ago
- The repository for the generative pretrained model on polymer generation☆12Updated 8 months ago
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆24Updated 10 months ago
- Large language models to generate stable crystals.☆112Updated last year