IanevskiAleksandr / DECREASE
☆10Updated 5 years ago
Alternatives and similar repositories for DECREASE:
Users that are interested in DECREASE are comparing it to the libraries listed below
- ☆15Updated 4 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 4 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Updated 2 years ago
- ☆10Updated last year
- An analysis of a new experimentally-derived nucleic acid binding chemical library☆21Updated 2 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆32Updated 9 months ago
- Official Implementation of CompassDock☆18Updated 4 months ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- KA-Search: Rapid and exhaustive sequence identity search of known antibodies☆22Updated 7 months ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆13Updated 4 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17Updated 2 years ago
- ☆32Updated 3 years ago
- ☆59Updated 2 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 3 years ago
- ☆10Updated 7 months ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 3 years ago
- Code and data used in https://doi.org/10.1101/2021.08.01.454656☆53Updated 2 years ago
- ☆25Updated 8 months ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 4 months ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆24Updated 2 years ago
- substructure search in large combinatorial spaces using openchemlib☆19Updated last month
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆32Updated 3 years ago
- dMaSIF implementation for google colab☆30Updated last year
- An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.☆44Updated last month
- comparing drug classification methods☆19Updated 5 years ago
- Antibody Annotation - Annotate VH and VL sequences (FR and CDR) in Python☆29Updated last year
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated last year