zhu-tingfei / PatentNetMLLinks
☆11Updated last year
Alternatives and similar repositories for PatentNetML
Users that are interested in PatentNetML are comparing it to the libraries listed below
Sorting:
- ☆16Updated 3 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Updated 2 years ago
- MGA☆43Updated 4 years ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆15Updated 8 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- ☆12Updated last year
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- ☆41Updated last year
- Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"☆28Updated last year
- ☆17Updated 2 years ago
- DeepCDA☆14Updated 5 years ago
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆13Updated last year
- K-BERT for molecular property prediction.☆30Updated 2 years ago
- a multi-property optimization method.☆33Updated 7 months ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆50Updated 2 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆67Updated 2 years ago
- structure-based explanation methods☆26Updated last year
- ☆26Updated 2 years ago
- Code used to mine surfaces.☆19Updated 4 months ago
- ☆18Updated 6 months ago
- ☆14Updated 3 years ago
- ☆56Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆63Updated last year
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated last year
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆10Updated 4 months ago
- Accurate ADMET Prediction with XGBoost☆36Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month
- ☆18Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year