Team-SKI / PublicationsLinks
Supporting Information of Publications
☆14Updated 6 years ago
Alternatives and similar repositories for Publications
Users that are interested in Publications are comparing it to the libraries listed below
Sorting:
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- ☆12Updated 4 years ago
- Snippets for common computer-aided drug design tasks☆10Updated 8 years ago
- ☆10Updated 4 years ago
- RDKit code for the JCIM article☆17Updated 12 years ago
- ☆13Updated 2 years ago
- ☆26Updated 2 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆18Updated last month
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated 2 years ago
- Generative RNN for molecule de novo design☆19Updated 3 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Updated 3 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 7 months ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆20Updated last year
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Updated 5 years ago
- ☆14Updated 3 years ago
- ☆21Updated 2 years ago
- Python API for Pharmer☆12Updated 6 years ago
- ChEMBL Similarity Search☆17Updated 4 years ago
- ☆11Updated 2 years ago
- ☆22Updated 9 months ago
- ☆25Updated 5 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
- Deep Binding Structure RMSD Prediction☆22Updated 4 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- MD pharmacophores and virtual screening☆33Updated last year