MolecularAI / Deep-Drug-Coder
☆17Updated last year
Alternatives and similar repositories for Deep-Drug-Coder:
Users that are interested in Deep-Drug-Coder are comparing it to the libraries listed below
- ☆14Updated 2 years ago
- ☆10Updated last year
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 2 years ago
- docking visualization with py3dmol and streamlit☆23Updated 3 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 3 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- faster docking☆19Updated 3 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 4 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆16Updated 2 years ago
- ☆9Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- ☆16Updated 2 years ago
- ☆25Updated 9 months ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- Code to analyze SAR datasets for Nonadditivity☆18Updated 3 years ago
- Python API for Pharmer☆11Updated 5 years ago
- Benchmark interpretation of QSAR models☆15Updated 2 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- pains filter using rdktit☆11Updated 9 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- ☆22Updated 3 years ago
- Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method…☆12Updated 5 years ago
- Shape-based alignment of molecules using 3D point-based representation☆20Updated 11 months ago
- ☆13Updated last year
- Synthetic Bayesian Classification☆40Updated 4 years ago
- ☆12Updated 2 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆32Updated last year