A python library for prediction of drug metabolites
☆21Mar 19, 2018Updated 8 years ago
Alternatives and similar repositories for sygma
Users that are interested in sygma are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Perform probe-guided blind docking with FTMap and DOCK6☆10Apr 25, 2023Updated 2 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 5 years ago
- ☆30Mar 25, 2021Updated 5 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆36Updated this week
- ☆23Feb 3, 2026Updated 2 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A collection of virtual screening benchmarking☆12Sep 16, 2023Updated 2 years ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated last year
- A collection of IPython Notebooks on chemoinformatics☆13Mar 29, 2016Updated 10 years ago
- Project for integration of OPS and the Knime workflow engine☆14Aug 12, 2015Updated 10 years ago
- [JCIM'25] AccFG: Functional Group Extraction and Molecular Structure Comparison☆28Dec 27, 2025Updated 3 months ago
- Collection of scripts / notebooks to reliably select datasets☆31Jan 28, 2024Updated 2 years ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆46Apr 8, 2026Updated last week
- Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causal…☆13Feb 11, 2023Updated 3 years ago
- Official repository for multitask deep learning models.☆19Dec 8, 2020Updated 5 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆10Apr 22, 2019Updated 6 years ago
- ☆12Jun 3, 2019Updated 6 years ago
- Project based at the Bond University Center for Research in Evidence-Based Practice (CREBP) with the aim of drastically reducing the time…☆15Aug 28, 2017Updated 8 years ago
- The Systematic Review Accelerator (SRA) for the Bond University IEBH☆17Sep 16, 2025Updated 7 months ago
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- Community detection method for multidimensional networks☆11Mar 3, 2025Updated last year
- Modeling framework for eTRANSAFE project☆13Aug 6, 2025Updated 8 months ago
- See http://dx.doi.org/10.1039/C7SC04156J for more details☆11Aug 28, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆14Mar 7, 2024Updated 2 years ago
- TUTORIAL -> Django bootstrap 4 DICOM online viewer using python background☆16Nov 9, 2018Updated 7 years ago
- A recurrent neural network (RNN) that generates drug-like molecules for drug discovery.☆11May 4, 2022Updated 3 years ago
- Prediction of metabolites formed by phase I and phase II xenobiotic metabolism.☆16May 25, 2022Updated 3 years ago
- Python script for processing DrugBank XML to MySQL-ready CSV files☆19Mar 6, 2017Updated 9 years ago
- Meta-analysis toolbox for basic research applications. Developed in MATLAB R2016b.☆13Apr 21, 2019Updated 6 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- Main repository for METAGUI3☆21Jun 19, 2021Updated 4 years ago
- Machine Learning using marginalized graph kernel for chemical molecules.☆13Mar 15, 2024Updated 2 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.
- Name Reaction Ontology☆47Jan 26, 2026Updated 2 months 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
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆92Sep 2, 2025Updated 7 months ago
- Fine-Tuning Llama3-8B LLM in a multi-GPU environment using DeepSpeed☆21May 27, 2024Updated last year
- R functions for automation of biomarker discovery based on processing downstream of large LC-MS datasets from any peak picking software☆10May 17, 2017Updated 8 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Jul 22, 2021Updated 4 years ago
- Health Checker is a website that shows a list of symptoms and on the basis of the symptom the medical conditions that are possible. It ca…☆22Jul 2, 2023Updated 2 years ago