broadinstitute / DEL-ML-RefactorLinks
☆12Updated 8 months ago
Alternatives and similar repositories for DEL-ML-Refactor
Users that are interested in DEL-ML-Refactor are comparing it to the libraries listed below
Sorting:
- ML-guided visual inspection for molecular docking☆20Updated 6 months ago
- ☆52Updated 7 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆45Updated 6 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆24Updated last week
- 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
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated 2 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- ☆17Updated last year
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆42Updated last year
- 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
- ☆12Updated last year
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆46Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated 2 years ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- ☆16Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- ☆59Updated 2 months ago
- ☆26Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated last week
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 8 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 8 months ago
- ☆16Updated 3 years ago
- Code Space of SynLlama☆38Updated last month
- ☆21Updated 2 years ago
- ☆27Updated this week
- ☆17Updated last year
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Updated last year
- ☆55Updated 2 months ago