rdkit / UGM_2019Links
☆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
Sorting:
- ☆32Updated last month
- 2018 RDKit UGM☆14Updated 6 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- ☆45Updated 4 years ago
- faster docking☆19Updated 4 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated last year
- ☆23Updated 3 years ago
- Code to analyze SAR datasets for Nonadditivity☆18Updated 3 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- A lightweight visualization tool for molecules and their properties☆15Updated 7 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated last year
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Structure-informed machine learning for kinase modeling☆54Updated this week
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆26Updated 3 years ago
- ☆28Updated last year
- Tool for mining structure-property relationships from chemical datasets☆16Updated 7 months ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆64Updated 5 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- blogpost notebooks☆20Updated 4 years ago
- ☆34Updated last year
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆48Updated 4 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated 4 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- cime public repository☆33Updated 2 years ago
- A validating SMILES parser, with support for incomplete SMILES☆26Updated 4 months ago