Target prediction
☆13May 8, 2020Updated 5 years ago
Alternatives and similar repositories for FastTargetPred
Users that are interested in FastTargetPred are comparing it to the libraries listed below
Sorting:
- Graph Neural Networks for Drug Efficacy Prediction☆11Sep 11, 2022Updated 3 years ago
- ChEMBL Similarity Search☆18Nov 28, 2020Updated 5 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆13May 30, 2021Updated 4 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 4 years ago
- PIDGINv4☆13Mar 15, 2022Updated 3 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Dec 16, 2021Updated 4 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- ☆17Dec 13, 2020Updated 5 years ago
- Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows☆17Sep 27, 2018Updated 7 years ago
- SMARTS: 'regular expressions' for chemical structures☆21Jun 21, 2018Updated 7 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- ☆41Nov 10, 2020Updated 5 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆22Oct 2, 2024Updated last year
- Evolutionary algorithm for the optimization of molecular properties.☆59Updated this week
- A program for the conformational search in flexible acyclic molecules☆10Jul 12, 2022Updated 3 years ago
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Feb 20, 2026Updated last week
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆40Jul 6, 2021Updated 4 years ago
- MOlecule fRagmenTAtion fRamework☆27Feb 20, 2026Updated last week
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 5 years ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 2 years ago
- ☆13Nov 29, 2024Updated last year
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 3 years ago
- ☆14Mar 7, 2024Updated last year
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 8 years ago
- Non Metric Space ( Approximate ) Library in R☆12Feb 2, 2023Updated 3 years ago
- A library for writing chemical and biological data management systems☆10Oct 24, 2019Updated 6 years ago
- Phylogenetic tools for Eco-phylogenetics☆14Oct 10, 2024Updated last year
- Another Molecular String Representation☆10Feb 14, 2026Updated last week
- ☆11Apr 22, 2024Updated last year
- Railroadtracks is a Python package to handle connected computation steps for DNA and RNA Seq.☆14Jun 22, 2015Updated 10 years ago
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- ☆25Oct 30, 2020Updated 5 years ago
- ☆28Mar 16, 2023Updated 2 years ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- ☆49Oct 8, 2020Updated 5 years ago