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:
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆17Updated last year
- MGA☆43Updated 4 years ago
- K-BERT for molecular property prediction.☆30Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆31Updated this week
- ☆15Updated 2 years ago
- ☆18Updated 5 months ago
- ☆12Updated last year
- structure-based explanation methods☆26Updated last year
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆14Updated 7 months ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated last year
- ☆17Updated 2 years ago
- Obtain and organize all feasible fragmentation of molecular methods☆31Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆10Updated last year
- ☆56Updated last year
- a method for CPI and DTA prediction☆11Updated 2 years ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆19Updated last month
- Applying deep neural networks for retrosynthesis tasks☆37Updated 5 years ago
- DeepCDA☆14Updated 5 years ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- ☆38Updated last year
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- ☆24Updated 2 years ago
- ☆20Updated 2 years ago
- ☆26Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- ☆26Updated 2 years ago
- Accurate ADMET Prediction with XGBoost☆35Updated 2 years ago