MolecularAI / DockStreamCommunityLinks
☆26Updated 2 years ago
Alternatives and similar repositories for DockStreamCommunity
Users that are interested in DockStreamCommunity are comparing it to the libraries listed below
Sorting:
- ☆13Updated 3 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆25Updated last week
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated last year
- ☆20Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆15Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- ☆17Updated 2 years ago
- ☆25Updated 11 months ago
- ☆16Updated 11 months ago
- ☆17Updated 2 years ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- Python API for Pharmer☆12Updated 5 years ago
- ☆11Updated 10 months ago
- ☆13Updated 7 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆25Updated this week
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 2 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆25Updated 2 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆12Updated last year
- Code used to mine surfaces.☆15Updated 3 months ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated last year
- ☆17Updated last week
- ☆12Updated 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…☆15Updated 11 months ago
- ☆14Updated last year
- ☆35Updated 2 months ago
- ☆17Updated last year
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆15Updated last year
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- ☆21Updated 3 months ago