rdkit / UGM_2019
☆16Updated 5 years ago
Alternatives and similar repositories for UGM_2019:
Users that are interested in UGM_2019 are comparing it to the libraries listed below
- ☆32Updated 3 years ago
- 2018 RDKit UGM☆14Updated 6 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆43Updated last year
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- docking visualization with py3dmol and streamlit☆23Updated 3 years ago
- ☆17Updated 11 months ago
- Code to analyze SAR datasets for Nonadditivity☆18Updated 3 years ago
- faster docking☆19Updated 3 years ago
- ☆44Updated 4 years ago
- A validating SMILES parser, with support for incomplete SMILES☆26Updated this week
- RF-Score-VS binary☆30Updated 6 years ago
- Create molecular hashes☆27Updated 5 years ago
- ☆22Updated 3 years ago
- Structure-informed machine learning for kinase modeling☆53Updated 3 weeks ago
- Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space☆29Updated 2 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆39Updated last year
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- Updated version of Silicos-it's shape-based alignment tool☆40Updated 9 months ago
- ☆28Updated last year
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆44Updated 2 years ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆46Updated 3 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 4 years ago
- Synthetic Bayesian Classification☆40Updated 4 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆45Updated 10 months ago
- pains filter using rdktit☆11Updated 9 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆32Updated last year
- ☆33Updated 10 months ago
- ☆45Updated 2 years ago