yuewan2 / Retroformer
☆46Updated 2 years ago
Alternatives and similar repositories for Retroformer:
Users that are interested in Retroformer are comparing it to the libraries listed below
- ☆64Updated 3 years ago
- ☆54Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 11 months ago
- ☆69Updated 10 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- ☆52Updated 2 years ago
- Contains results and data from Augmented Transformer article☆37Updated 4 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆76Updated 2 years ago
- Papers about Structure-based Drug Design (SBDD)☆101Updated 3 months ago
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆49Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆39Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆89Updated 2 years ago
- Predicting Organic Reactivity with LocalTransform☆44Updated 8 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆41Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆32Updated 2 years ago
- ☆63Updated 2 years ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆35Updated 6 months ago
- generative model for drug discovery☆59Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated last year
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆32Updated 2 years ago
- The official implementation of dual-view molecule pre-training.☆41Updated 3 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆106Updated last year
- Code for Single-step Retrosynthesis model Retroprime☆37Updated 3 years ago
- Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)☆18Updated 3 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- ☆45Updated 4 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 3 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆125Updated 2 years ago
- [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning☆21Updated 5 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 11 months ago