fimrie / DeLinkerLinks
☆37Updated 5 years ago
Alternatives and similar repositories for DeLinker
Users that are interested in DeLinker are comparing it to the libraries listed below
Sorting:
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Updated 3 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 3 years ago
- This is a machine-learning based protein-ligand scoring function.☆53Updated 5 years ago
- ☆32Updated last year
- ☆26Updated 6 years ago
- ☆57Updated last year
- ☆22Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆33Updated last week
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 7 years ago
- ☆30Updated 2 years ago
- ☆41Updated 5 years ago
- ☆28Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆29Updated 3 years ago
- ☆54Updated 9 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆101Updated 11 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆73Updated 11 months ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆77Updated last year
- pythonic interface to virtual screening software☆92Updated 5 months ago
- Fragment-based Molecular Expansion☆27Updated 2 years ago
- 3D ligand-based pharmacophore modeling☆53Updated 3 weeks ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Updated 5 years ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆58Updated 2 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 4 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated last month
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Updated 4 years ago
- ☆49Updated 5 years ago