Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)
☆13Jun 15, 2017Updated 8 years ago
Alternatives and similar repositories for PIDGIN
Users that are interested in PIDGIN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)☆31Jul 19, 2019Updated 6 years ago
- ☆14Dec 29, 2022Updated 3 years ago
- Shape-based alignment of molecules using 3D point-based representation☆23Mar 6, 2024Updated 2 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- A JupyterLab plugin implementing the XSMILES visualization☆12Aug 7, 2023Updated 2 years ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆15Jul 19, 2015Updated 10 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Sep 7, 2020Updated 5 years ago
- Open Source Antibiotics Series 2☆10Jan 23, 2023Updated 3 years ago
- pains filter using rdktit☆10Mar 17, 2015Updated 11 years ago
- Supervised Distance Metric Learning with R☆20Mar 19, 2019Updated 7 years ago
- 3D diverse conformers generation using rdkit☆23Mar 10, 2022Updated 4 years ago
- ☆13Jul 11, 2017Updated 8 years ago
- Open Targets Library ETL Pipeline | Apache Beam☆16May 5, 2021Updated 4 years ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- ☆10Nov 17, 2020Updated 5 years ago
- ☆17Mar 11, 2023Updated 3 years ago
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 3 years ago
- Predicting mechanism of action of novelcompounds using compound structure andtranscriptomic signature co-embedding☆14Oct 17, 2023Updated 2 years ago
- ☆11Jan 21, 2019Updated 7 years ago
- A lightweight generic cheminformatics toolkit☆19Apr 14, 2016Updated 9 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆50Mar 11, 2024Updated 2 years ago
- Deep Learning package for Python☆25Apr 5, 2018Updated 7 years ago
- Computational Analysis of Novel Drug Opportunities☆40Jan 9, 2026Updated 2 months ago
- GPU implementation of improved dense trajectory☆10Apr 14, 2015Updated 10 years ago
- NMF-mGPU web site:☆27May 2, 2015Updated 10 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Nov 20, 2025Updated 4 months ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆39Mar 5, 2026Updated 2 weeks ago
- ☆49Oct 8, 2020Updated 5 years ago
- OCEAN - Optimized Cross rEActivity estimatioN☆12Apr 29, 2020Updated 5 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Mar 15, 2018Updated 8 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Jan 17, 2026Updated 2 months ago
- ☆16Apr 10, 2019Updated 6 years ago
- Utilities for working with the RDKit☆20Sep 5, 2016Updated 9 years ago
- ☆20Nov 12, 2024Updated last year
- ☆42Nov 10, 2020Updated 5 years ago
- GitHub Actions workflows for Shiny and related packages☆22Jan 7, 2026Updated 2 months ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Jul 23, 2023Updated 2 years ago