Man pages for dongminjung/DeepPINCS
Protein Interactions and Networks with Compounds based on Sequences using Deep Learning
| antiviral_drug | List of antiviral drugs with SMILES strings |
| cpi_model | Deep learning model fitting and prediction for... |
| encoder_in_out | Input and output tensors of encoders |
| example_bioassay | Example Data for PubChem AID1706 bioassay |
| example_cci | Example Data for Chemical-Chemical Interactions |
| example_chem | Example Data for Compounds |
| example_cpi | Example Data for Compound-Protein Interactions |
| example_pd | Example Data for Primer-Dimer |
| example_ppi | Example Data for Protein-Protein Interactions |
| example_prot | Example Data for Proteins |
| get_canonical_smiles | Convert SMILES strings to canonical SMILES strings |
| get_fingerprint | Molecular fingerprint of compounds from SMILES strings |
| get_graph_structure_node_feature | Graph structure and node features from SMILES strings |
| get_seq_encode_pad | Vectorization of characters of strings |
| metric_concordance_index | Concordance index |
| metric_f1_score | F1-score |
| multiple_sampling_generator | Generator function for multiple inputs |
| SARS_CoV2_3CL_Protease | Amino Acid Sequence for the SARS coronavirus 3C-like Protease |
| seq_check | Check SMILES strings and amino acid sequences |
| seq_preprocessing | Preprocessing for SMILES strings and amino acid sequences |
