AspirinCode / DiffIUPACLinks
Diffusion-based generative drug-like molecular editing with chemical natural language
☆18Updated last year
Alternatives and similar repositories for DiffIUPAC
Users that are interested in DiffIUPAC are comparing it to the libraries listed below
Sorting:
- A LLM-based Agent Framework for Drug Discovery☆19Updated 5 months ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 3 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆52Updated 5 months ago
- ☆40Updated 7 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Updated 3 years ago
- ☆23Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆33Updated 3 years ago
- a method for CPI and DTA prediction☆11Updated 3 years ago
- ☆54Updated last year
- ☆58Updated last year
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆55Updated 2 years ago
- ☆46Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Updated last year
- ☆22Updated last year
- ☆29Updated last year
- Collection of papers for Molecular Representation using AI☆29Updated last month
- RNA, mRNA, DNA, Peptide, Protein, Antibody and Complex | Folding☆40Updated last month
- [Briefings in Bioinformatics] A Survey of Generative AI for de novo Drug Design☆94Updated last year
- SGPPI: structure-aware prediction of protein-protein interactions in rigorous conditions with graph convolutional network☆14Updated 3 years ago
- ☆19Updated last year
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- An official implementation of Protein Representation Learning via Knowledge Enhanced Primary Structure Reasoning☆28Updated 2 years ago
- ☆21Updated last year
- BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions☆20Updated last year
- ☆31Updated 3 years ago
- ☆34Updated 2 years ago
- This is the official repository of Prot2Token paper.☆38Updated 7 months ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆16Updated last year