ideaconsult / apps-ambit
Applications using AMBIT and examples how to call AMBIT modules
☆16Updated 3 years ago
Alternatives and similar repositories for apps-ambit:
Users that are interested in apps-ambit are comparing it to the libraries listed below
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆21Updated 6 months ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- Modeling Tanimoto distributions for RDKit☆17Updated 5 years ago
- Create molecular hashes☆27Updated 5 years ago
- PaDEL ws descriptors engine☆12Updated 6 years ago
- ☆32Updated this week
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆19Updated 3 years ago
- ☆10Updated 6 years ago
- ☆14Updated 2 years ago
- Code available for the quantitative pharmacophores☆12Updated 2 years ago
- Direct-to-SVG small molecule drawer.☆24Updated 2 months ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- McDock: Simple Monte Carlo docking algorithm in C++☆10Updated 8 years ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆20Updated 5 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 7 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges☆23Updated 2 months ago
- cime public repository☆33Updated 2 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Updated 7 years ago
- ☆27Updated 3 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 5 months ago
- 2D/3D generation for small compounds☆32Updated 5 years ago
- Quantum mechanic mass spectrometry calculation program☆46Updated 5 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- ☆16Updated 2 years ago
- Python API for Pharmer☆12Updated 5 years ago
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆14Updated 2 years ago
- Shape-based alignment of molecules using 3D point-based representation☆21Updated last year
- ☆13Updated last year
- ☆17Updated last year