dataprofessor / solubility-appLinks
☆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
Sorting:
- ☆19Updated 3 years ago
- ☆16Updated 3 years ago
- ☆26Updated 4 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- Repository of codes and data for Estrogen Receptor Alpha QSAR modeling☆18Updated 7 years ago
- ☆19Updated last year
- Compilation of chemoinformatics and machine learning techniques☆59Updated last year
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆14Updated 11 months ago
- rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)☆30Updated 2 years ago
- Cloud-based molecular docking for everyone☆11Updated 11 months ago
- In process work on active learning tutorials☆11Updated last year
- A collection of PyMOL plugins to visualize atomic bonds.☆22Updated 4 years ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆18Updated 2 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated 2 weeks ago
- ☆36Updated 3 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆19Updated 3 years ago
- ☆31Updated last month
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- Google Colab notebooks for running molecular dynamics simulations with GROMACS☆33Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆68Updated 2 months ago
- Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structu…☆27Updated 5 years ago
- Screening protocol with AUTODOCK-GPU☆11Updated 2 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 7 months ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…☆33Updated 2 months ago
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆22Updated 2 years ago
- ☆28Updated last month
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last year
- a VMD plugin for binding affinity prediction using end-point free energy methods☆28Updated 9 years ago
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆27Updated 9 months ago