PatWalters / dissecting_hypeLinks
Code to accompany my blog post "Dissecting the Hype With Cheminformatics"
☆12Updated 6 years ago
Alternatives and similar repositories for dissecting_hype
Users that are interested in dissecting_hype are comparing it to the libraries listed below
Sorting:
- A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.☆17Updated 9 years ago
- ☆31Updated 7 years ago
- Web cards/apps describing peptides☆30Updated 2 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Updated 8 years ago
- A high-quality hand-curated logD7.4 dataset of 1,130 compounds☆22Updated 7 years ago
- A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13☆30Updated 6 years ago
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated last year
- Conda build recipe for the rdkit☆51Updated 3 years ago
- mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…☆15Updated 7 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated last week
- a protein descriptor for site prediction☆16Updated 6 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 5 years ago
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Updated 3 years ago
- ☆13Updated 5 years ago
- ☆30Updated 5 months ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- PDNET: A fully open-source framework for deep learning protein real-valued distances☆36Updated 4 years ago
- Information sharing portal about nCov/SARS/MERS for drug discovery☆37Updated last year
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- ☆11Updated 6 years ago
- A python module for generating interactive views of chemical spaces.☆75Updated 2 years ago
- A wxPython graphical interface for the PyRosetta and Rosetta protein modeling suites☆29Updated 7 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 4 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆27Updated 6 months ago
- Generative RNN for molecule de novo design☆19Updated 3 years ago
- Predicting Protein – Ligand Interaction by using Deep Learning Models☆11Updated 6 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆43Updated 3 weeks ago
- Model to predict kinase-ligand pKi values.☆12Updated 2 years ago