Popov-Lab-UNC / DELiLinks
A package for calling DEL selections and running data analysis on the results
☆12Updated last month
Alternatives and similar repositories for DELi
Users that are interested in DELi are comparing it to the libraries listed below
Sorting:
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 11 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 5 months ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 5 months ago
- ☆18Updated 3 years ago
- ☆16Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- Python API for Pharmer☆12Updated 6 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- A bridge between Biotite and OpenMM☆15Updated 5 months ago
- ☆12Updated 3 years ago
- ☆22Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 5 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆22Updated last year
- WaterDock-2.0 implementation with Akshay Sridhar☆16Updated last year
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Updated 6 years ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 5 months ago
- Official Implementation of CompassDock☆20Updated 10 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 2 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆37Updated 3 weeks ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated last year
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆26Updated last week
- faster docking☆19Updated 4 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago