dataprofessor / solubility-app
☆15Updated 2 years ago
Alternatives and similar repositories for solubility-app:
Users that are interested in solubility-app are comparing it to the libraries listed below
- ☆19Updated 3 years ago
- ☆15Updated 3 years ago
- ☆26Updated 4 years ago
- Repository of codes and data for Estrogen Receptor Alpha QSAR modeling☆18Updated 7 years ago
- Compilation of chemoinformatics and machine learning techniques☆57Updated last year
- In process work on active learning tutorials☆11Updated last year
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆19Updated 3 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- A Consensus Docking Plugin for PyMOL☆70Updated 9 months ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- ☆18Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆66Updated 6 months ago
- ☆19Updated last year
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆14Updated 9 months ago
- ☆17Updated last year
- ☆32Updated 4 years ago
- Scripts used for virtual screening of small molecule inhibitors from ZINC database using Autodock Vina☆15Updated 10 years ago
- ☆13Updated 8 months ago
- Creating machine learning algorithms from scratch☆18Updated 3 weeks ago
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated last year
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆24Updated 7 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 2 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 5 months ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- ☆36Updated 3 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Updated 7 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆43Updated last month
- Extended Connectivity Interaction Features☆30Updated 3 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago