AnHorn / AIMLinkerLinks
Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design
☆11Updated 2 years ago
Alternatives and similar repositories for AIMLinker
Users that are interested in AIMLinker are comparing it to the libraries listed below
Sorting:
- ☆12Updated 2 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆31Updated 6 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 9 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 8 months ago
- ☆27Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated this week
- Examples of MolScore implementations☆11Updated last year
- ☆21Updated 2 years ago
- ☆52Updated 7 months ago
- Virtual screening approach for fragments selection and merging to lead-like compounds☆13Updated 4 years ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 3 years ago
- ☆12Updated 4 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- ☆20Updated last year
- ☆28Updated 2 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- ☆28Updated 2 years ago
- ☆16Updated 2 years ago
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆25Updated 3 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated 2 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆22Updated last year
- AI-augmented R-group exploration in medicinal chemistry☆18Updated last year
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆36Updated 4 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- ☆16Updated last year
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- ☆13Updated last year
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆18Updated last month