rareylab / InteractionDrawerLinks
InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
☆25Updated 2 years ago
Alternatives and similar repositories for InteractionDrawer
Users that are interested in InteractionDrawer are comparing it to the libraries listed below
Sorting:
- ☆52Updated 7 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 8 months ago
- ML-guided visual inspection for molecular docking☆20Updated 6 months ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆17Updated last year
- Weighted Ensemble Data Analysis and Plotting☆24Updated 5 months ago
- Computational Chemistry Workflows☆56Updated 3 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆36Updated 4 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆30Updated last month
- Code Space of SynLlama☆38Updated 3 weeks ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- ☆25Updated 9 months ago
- BINANA (BINding ANAlyzer) analyzes the geometries of predicted ligand poses to identify molecular interactions that contribute to binding…☆23Updated 5 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated 5 months ago
- ☆12Updated 2 years ago
- ☆22Updated 2 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆31Updated 6 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆45Updated 5 months ago
- Cloud-based Drug Binding Structure Prediction☆44Updated 3 weeks ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated this week
- ☆17Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 3 years ago
- Fully automated high-throughput MD pipeline☆85Updated 3 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆20Updated last year
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆18Updated last month
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated 2 years ago