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
- ☆17Updated 4 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆28Updated 11 months ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆25Updated last year
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- ☆10Updated 9 months ago
- ☆10Updated last year
- ☆20Updated 6 months ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆15Updated 10 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- ☆12Updated 9 months ago
- ☆15Updated 2 years ago
- Optimization of binding affinities in chemical space for drug discovery☆36Updated 2 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 4 years ago
- An analysis of a new experimentally-derived nucleic acid binding chemical library☆21Updated 2 years ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- ☆17Updated 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
- Official Implementation of CompassDock☆18Updated 6 months ago
- a deep learning architecture for RNA-ligand binding sites prediction☆18Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆30Updated 3 years ago
- ☆34Updated 3 years ago
- ☆21Updated 3 months ago
- comparing drug classification methods☆19Updated 5 years ago
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆13Updated 8 months ago
- ☆32Updated last year
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated last year
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆35Updated 2 months ago