fimrie / DeLinkerLinks
☆38Updated 4 years ago
Alternatives and similar repositories for DeLinker
Users that are interested in DeLinker are comparing it to the libraries listed below
Sorting:
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆33Updated last year
- ☆93Updated 5 months ago
- ☆29Updated last year
- ☆55Updated last year
- ☆50Updated 3 months ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Updated 3 years ago
- This is a machine-learning based protein-ligand scoring function.☆51Updated 4 years ago
- ☆25Updated 5 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- ☆20Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆63Updated 2 years ago
- ☆28Updated 2 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- ☆37Updated 4 years ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 6 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆71Updated last year
- ☆46Updated 4 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆65Updated 5 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- ☆37Updated 4 years ago
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆84Updated 8 months ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated last month
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ☆57Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆27Updated last month