HUBioDataLab / ProtBENCH
☆11Updated 6 months ago
Related projects ⓘ
Alternatives and complementary repositories for ProtBENCH
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆25Updated 2 years ago
- ☆23Updated 5 months ago
- ☆12Updated last year
- ☆11Updated 2 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- a method for CPI and DTA prediction☆9Updated 2 years ago
- Official Implementation of CompassDock☆14Updated last month
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆11Updated last year
- DeepCDA☆12Updated 4 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆31Updated 6 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆11Updated 11 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated 11 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆13Updated 2 weeks ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆15Updated last year
- DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers☆11Updated last year
- ☆29Updated 4 months ago
- ☆12Updated 2 years ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆24Updated 2 years ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆12Updated 5 months ago
- Python API for Pharmer☆11Updated 5 years ago
- ☆26Updated 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
- My (small) research project in solubility of drug-like molecules☆18Updated 3 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Updated 3 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 3 years ago
- Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets☆12Updated 3 years ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆24Updated last year
- ☆13Updated last year
- ☆44Updated 9 months ago
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆10Updated last year