idrugLab / ADCNetLinks
☆21Updated 5 months ago
Alternatives and similar repositories for ADCNet
Users that are interested in ADCNet are comparing it to the libraries listed below
Sorting:
- Interface-aware molecular generative framework for protein-protein interaction modulators☆17Updated 10 months ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆27Updated 10 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- Official Implementation of CompassDock☆20Updated last year
- ☆33Updated last year
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆29Updated 3 months ago
- ☆50Updated 9 months ago
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆18Updated 5 months ago
- ☆12Updated 3 years ago
- Structure-based drug design based on Retrieval Augmented Generation☆19Updated last year
- Code for peptide ligand design with machine learning models.☆28Updated 10 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆68Updated 7 months ago
- ☆13Updated last year
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- ☆34Updated last year
- ☆22Updated 2 weeks ago
- A Deep Learning Framework for Allosteric Site Prediction☆13Updated 5 months ago
- RNA, mRNA, DNA, Peptide, Protein, Antibody and Complex | Folding☆37Updated 3 months ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆27Updated 7 months ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆44Updated last year
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated 2 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated 10 months ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆18Updated last month
- ☆21Updated 2 years ago
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆26Updated last year
- ☆62Updated 3 years ago
- ☆38Updated 3 months ago
- PocketDTA☆30Updated last year