MolecularAI / DockStreamCommunity
☆26Updated last year
Alternatives and similar repositories for DockStreamCommunity:
Users that are interested in DockStreamCommunity are comparing it to the libraries listed below
- ☆18Updated last year
- ☆12Updated 3 years ago
- ☆15Updated 2 years ago
- ☆19Updated last year
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆22Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆23Updated last year
- ☆15Updated 6 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆37Updated last year
- ☆12Updated 8 months ago
- ☆23Updated 6 months ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Updated 2 years ago
- ☆15Updated 5 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆18Updated last month
- Python API for Pharmer☆11Updated 5 years ago
- ☆16Updated last year
- ☆28Updated 9 months ago
- ☆17Updated 11 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆15Updated last year
- Virtual screening approach for fragments selection and merging to lead-like compounds☆12Updated 3 years ago
- ☆14Updated 2 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆23Updated last year
- ☆21Updated 5 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆19Updated 2 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 2 years ago
- Molecular SMILE generation with recurrent neural networks☆19Updated 6 months ago
- Machine learning accelerated docking screens☆27Updated last week
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆10Updated last year
- ☆44Updated 4 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆18Updated last year