Target prediction
☆14May 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ChEMBL Similarity Search☆19Nov 28, 2020Updated 5 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 4 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Dec 16, 2021Updated 4 years ago
- Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows☆17Sep 27, 2018Updated 7 years ago
- ☆42Nov 10, 2020Updated 5 years ago
- fast functionalisation of molecules☆40Nov 8, 2021Updated 4 years ago
- ☆17Dec 13, 2020Updated 5 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆14May 30, 2021Updated 4 years ago
- ☆11Apr 22, 2024Updated 2 years ago
- MOlecule fRagmenTAtion fRamework☆30Apr 22, 2026Updated last week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- SMARTS: 'regular expressions' for chemical structures☆22Jun 21, 2018Updated 7 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 4 years ago
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- ☆14Mar 7, 2024Updated 2 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆41Jul 6, 2021Updated 4 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 8 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- Evolutionary algorithm for the optimization of molecular properties.☆60Feb 24, 2026Updated 2 months 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
- ☆14Oct 16, 2022Updated 3 years ago
- ☆28Mar 16, 2023Updated 3 years ago
- Railroadtracks is a Python package to handle connected computation steps for DNA and RNA Seq.☆14Jun 22, 2015Updated 10 years ago
- Python Modeling Interface☆14Apr 17, 2026Updated last week
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- ☆13Nov 29, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆48Oct 8, 2020Updated 5 years ago
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 7 years ago
- Non Metric Space ( Approximate ) Library in R☆12Feb 2, 2023Updated 3 years ago
- ☆45May 12, 2020Updated 5 years ago
- ☆13Aug 5, 2025Updated 8 months ago
- Surrogate-based black-box optimization method for molecular properties☆13Oct 22, 2022Updated 3 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago