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 unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆53Updated 6 months ago
- A LLM-based Agent Framework for Drug Discovery☆20Updated 3 weeks ago
- a method for CPI and DTA prediction☆11Updated 3 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 3 years ago
- ☆40Updated 8 months ago
- ☆41Updated 7 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- ☆21Updated last year
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Updated last year
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆55Updated 2 years ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆32Updated last year
- ☆19Updated last year
- ☆31Updated 3 years ago
- ☆22Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆71Updated last year
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Updated 3 years ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆17Updated last year
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆42Updated last year
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Updated 2 years ago
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆21Updated 8 months ago
- my own studied materials and scripts☆59Updated 2 weeks ago
- ☆26Updated 8 months ago
- An official implementation of Protein Representation Learning via Knowledge Enhanced Primary Structure Reasoning☆28Updated 2 years ago
- ☆22Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆33Updated 3 years ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated 2 years ago
- Official repository of ReactZyme☆39Updated last year
- A quantitative benchmark and analysis of molecular large language models.☆17Updated 8 months ago
- ☆58Updated last year