idrugLab / ADCNetLinks
☆21Updated 4 months ago
Alternatives and similar repositories for ADCNet
Users that are interested in ADCNet are comparing it to the libraries listed below
Sorting:
- ☆34Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆17Updated 4 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆16Updated 9 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- PocketDTA☆30Updated 11 months ago
- ☆13Updated last year
- Code and data used in https://doi.org/10.1101/2021.08.01.454656☆53Updated 3 years ago
- ☆49Updated 9 months ago
- Official Implementation of CompassDock☆20Updated last year
- ☆33Updated last year
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆44Updated 11 months ago
- Structure-based drug design based on Retrieval Augmented Generation☆19Updated last year
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆66Updated 6 months ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆26Updated 9 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆28Updated 2 months ago
- ☆17Updated 5 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 2 weeks ago
- ☆12Updated 3 years ago
- Code for peptide ligand design with machine learning models.☆28Updated 10 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆41Updated 3 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- ☆37Updated 2 months ago
- dMaSIF implementation for google colab☆33Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 4 months ago
- Collection of papers for Molecular Representation using AI☆24Updated this week