Thank you to everyone who has contributed to BrainRoute! This project is made possible by the collaborative efforts of researchers, developers, and the open-source community.
 Soham Shirolkar 🔬 Lead Developer & Corresponding Author ORCID University of South Florida, USA 📧 sohamshirolkar24@gmail.com |
 Leah W. Cerere 📊 Visualization & Manuscript Writing ORCID Mount Kenya University, Kenya |
 Lewis Tem 💻 Lead Developer ORCID University of Buea, Cameroon |
 Noura E. Ahmed 🧪 Investigations & Manuscript Writing ORCID Munster Technological University, Ireland |
 Olaitan I. Awe 👨🏫 Project Supervision & Mentorship Corresponding Author ORCID Institute for Genomic Medicine Research, USA African Society for Bioinformatics and Computational Biology 📧 laitanawe@gmail.com |
- Soham Shirolkar: Project conception, research design, problem formulation
- Olaitan I. Awe: Research direction, strategic planning, scope definition
- Lewis Tem: ML pipeline implementation, Streamlit web application, database development, code optimization, app hosting
- Soham Shirolkar: ML pipeline implementation, model training, API integration, code optimization, BERT implementation
- Soham Shirolkar: Dataset aggregation, data cleaning, quality control, mTOR case study analysis, literature review
- Lewis Tem: Dataset aggregation, data cleaning, quality control, Feature engineering, descriptor calculation
- Lewis Tem: Classical ML models (KNN, XGBoost, SVM, RF, LR), Model deployment, uncertainty quantification
- Soham Shirolkar: Deep learning approach (BERT-based SMILES encoder)
- Soham Shirolkar: Manuscript writing, methods documentation, README, code documentation, Case study write-up, results interpretation
- Lewis Tem: Manuscript writing, methods documentation, README, code documentation, API reference
- Leah W. Cerere: Manuscript writing, workflow diagrams
- Noura E. Ahmed: Manuscript writing
- Soham Shirolkar & Lewis Tem: Model evaluation, cross-validation, testing
- Olaitan I. Awe: Project oversight, mentorship, resource allocation, quality assurance
Core Developer
- Designed and implemented the complete ML pipeline
- Developed ensemble prediction system with uncertainty quantification
- Feature importance analysis and interpretation
- Built the entire Streamlit web interface
- Implemented LLM integration (Llama 3)
- Developed batch processing functionality
- Developed curated database
- Deployed platform and database
- Lines of Code: ~5,000+
- Commits: 150+
Core Developer & Project Lead
- Designed and implemented the complete ML pipeline
- Integrated ChEMBL and PubChem APIs
- Led project from conception to deployment
- Implemented BERT-based deep learning models
- Conducted comprehensive model benchmarking
- Lines of Code: ~3,000+
- Commits: 100+
ML Research Lead
- Led manuscript writing and documentation
- Created Visualizations
- Commits: 5+
We welcome and recognize community contributions! This section will be updated as contributors join the project.
- Your Name Here - Description of contribution
- Your Name Here - Description of contribution
- Your Name Here - Description of contribution
We welcome contributions in many forms:
Found a bug? Open an issue with:
- Clear description of the problem
- Steps to reproduce
- Expected vs. actual behavior
- System information
Have an idea? Request a feature with:
- Use case description
- Proposed implementation
- Expected benefits
Ready to code? Follow our contribution guidelines:
- Fork the repository
- Create a feature branch
- Make your changes
- Submit a pull request
Help others by:
- Fixing typos or unclear explanations
- Adding examples or tutorials
- Translating documentation
- Creating video tutorials
Apply BrainRoute to:
- New disease areas
- Novel molecular classes
- Comparative analyses
- Validation studies
| Contributor | Roles |
|---|---|
| Soham Shirolkar | Conceptualization, Software, Formal Analysis, Visualization, Writing - Original Draft |
| Leah W. Cerere | Investigation, Formal Analysis, Writing - Review & Editing |
| Lewis Tem | Software, Visualization, Formal Analysis, Writing - Review & Editing |
| Noura E. Ahmed | Investigation, Formal Analysis, Writing - Review & Editing |
| Georges Some | |
| Olaitan I. Awe | Supervision, Project Administration, Resources, Funding Acquisition, Writing - Review & Editing |
Ideas; formulation or evolution of overarching research goals and aims
- Soham Shirolkar, Olaitan I. Awe
Management activities to annotate, scrub data and maintain research data
- soham Shirolkar, Lewis Tem
Application of statistical, mathematical, computational techniques
- All team mebers
Acquisition of financial support for the project
- Olaitan I. Awe (NIH ODSS, ASBCB)
Conducting research and investigation process
- All team members
Development or design of methodology; creation of models
- All team members
Management and coordination responsibility
- Olaitan I. Awe
Provision of study materials, computing resources, tools
- All team members
Programming, software development, code implementation
- Soham Shirolkar (ML pipeline,deep learning models)
- Lewis Tem (ML pipeline, deep learning, optimization, web interface, deployment)
Oversight and leadership responsibility, mentorship
- Olaitan I. Awe
Verification of reproducibility of results
- All team members
Preparation, creation of visualizations and data presentation
- Soham Shirolkar, Lewis Tem, Leah W. Cerere
Creation of the published work
- Soham Shirolkar, Olaitan I. Awe
Critical review, commentary, revision
- All team members
- University of South Florida, College of Engineering
- Mount Kenya University, Center for Malaria Elimination
- University of Buea, Department of Computer Science
- Munster Technological University, Department of Biological Sciences
- Institute for Genomic Medicine Research, West Hartford, CT
- African Society for Bioinformatics and Computational Biology (ASBCB)
- National Institutes of Health (NIH) - Office of Data Science Strategy (ODSS)
- Omics Codeathon - October 2025 event organizers
- Institute for Genomic Medicine Research - Infrastructure and resources
- ASBCB - Training and community support
- Hugging Face - Model hosting and LLM API access
- GitHub - Code repository and collaboration platform
- Streamlit - Web application framework
- RDKit developers - Cheminformatics tools
- scikit-learn contributors - ML library
- PyTorch team - Deep learning framework
- B3DB & MoleculeNet - Curated datasets
| Metric | Value |
|---|---|
| Total Contributors | 6 |
| Total Commits | 450+ |
| Lines of Code | 11,000+ |
| Files Modified | 150+ |
| Pull Requests | 85+ |
| Issues Resolved | 40+ |
| Documentation Pages | 25+ |
Python: 85.4% (ML models, backend, scripts)
JavaScript: 8.3% (React database interface)
CSS: 3.1% (Styling)
Markdown: 2.8% (Documentation)
Other: 0.4% (Config files)
- Project setup and repository initialization
- Data collection and initial preprocessing
- Basic model implementation
- ML model training and optimization
- Web interface development
- API integrations
- LLM integration
- Batch processing
- Uncertainty quantification
- Manuscript writing
- README and documentation
- Platform deployment
- Case study analysis
For questions about specific contributions:
- General inquiries: All team members
- Platform/technical issues: sohamshirolkar24@gmail.com, lewistem8@gmail.com (via GitHub issues)
- Data/methodology questions: All team members
- Project administration: laitanawe@gmail.com
By contributing to BrainRoute, you agree that your contributions will be licensed under the project's MIT License.
A heartfelt thank you to everyone who has contributed to BrainRoute! Your efforts help advance CNS drug discovery and make science more accessible.
Want to see your name here? Check out our Contributing Guide and start contributing today!
BrainRoute is a collaborative effort by the scientific community, for the scientific community.
Made with ❤️ by researchers passionate about open science