Computational R&D · Scientific Software

Advancing Life Science Through Computational Innovation.

What We Do

Software development, computational research, and contract R&D for the life sciences

Our work spans three areas: building analytical software, conducting original computational studies, and working with external research groups on defined scientific problems.

Software & Platforms

We develop analysis pipelines and software tools for biological data: multi-omics, molecular simulation, and clinical datasets. Both internal platforms are available to external users.

  • Bioinformatics pipelines and workflow automation
  • Molecular property prediction models
  • Data curation and integration systems

Computational Research

We carry out original studies in drug-target interaction, neural data analysis, and genomics. Research outputs include preprints, peer-reviewed publications, and annotated datasets.

  • Target identification and binding affinity studies
  • Neural phenotyping and circuit modelling
  • Variant analysis, GWAS, and multi-omics

Contract R&D

We work with pharmaceutical companies, biotech firms, and academic groups on scoped research problems. Arrangements include contract studies, collaborative analysis, and dataset agreements.

  • Defined-scope contract research
  • Co-authorship eligible collaborations
  • Dataset and model licensing
Software Platforms

Two analytical tools for biological data, available to external research groups

Both platforms are developed internally and can be accessed under academic or commercial terms. Contact us to discuss access arrangements.

researchdecode.com
3,412
0.87
PC1 (42.3%) Control Treatment
Available

Research Decode

A research ecosystem connecting researchers, domain experts, scientific services and resources - bringing the infrastructure of scientific collaboration into one platform.

  • Variant annotation, pathway enrichment, and differential expression
  • Cross-modal dataset integration and normalisation
  • Reproducible pipeline execution with full audit logs
neurosignature.7dna.in
0.94
2,847
Available

NeuroSignature

A machine learning platform for neural data analysis. Processes EEG, fMRI, and molecular inputs to derive quantitative measures used in neurological subtype classification and drug response studies.

  • Signal feature extraction from electrophysiological and imaging data
  • Neurological subtype classification using supervised models
  • Biomarker identification for drug response research
Research Areas

Six areas of computational biology and data science

Our research spans molecular simulation, neurological data analysis, genomics, machine learning, clinical data science, and infrastructure engineering.

01 / DD

Drug Discovery & Computational Chemistry

Virtual screening, ADMET prediction, free energy perturbation, and molecular dynamics simulation from target structure to ranked lead compounds.

Details →
02 / NI

Neuroinformatics

fMRI and DTI processing, brain atlas registration, structural and functional connectivity analysis, and graph-theoretic network metrics for clinical cohorts.

Details →
03 / BI

Bioinformatics & Genomics

Whole-genome and exome sequencing, bulk and single-cell RNA-seq, variant calling, gene regulatory network inference, and genome-wide association studies.

Details →
04 / ML

Biomedical Machine Learning

Graph neural networks for molecular property prediction, sequence models for protein analysis, survival models for clinical outcomes, and uncertainty-aware classifiers.

Details →
05 / DS

Clinical & Biomedical Data Science

EHR analysis, observational cohort studies, pharmacovigilance signal detection, and population-scale biobank analysis using UK Biobank and similar resources.

Details →
06 / PP

Pipeline & Infrastructure Engineering

Nextflow and Snakemake workflow development, containerised bioinformatics environments, cloud compute deployment, and FAIR data compliance.

Details →
Drug Discovery Workflow

Structure-based drug discovery: target to lead

Our computational drug discovery pipeline runs from target characterisation through to ranked lead compounds, with each stage producing documented, reproducible outputs.

Target & Structure
In Silico Screening
Evaluation
Output
01
Target ID
PPI network analysis & pathway enrichment
STRING KEGG
02
Structure
PDB retrieval, homology modelling, binding site definition
PyMol Modeller
03
Screening
Virtual library screening & pharmacophore filtering
RDKit Pharmer
04
Docking
Ensemble docking, pose scoring & interaction profiling
AutoDock Vina
05
MD Simulation
Binding stability, RMSD/RMSF, free energy perturbation
GROMACS AMBER
06
ADMET
Absorption, distribution, metabolism, excretion, toxicity
SwissADME pkCSM
07
AI Ranking
ML-scored lead prioritisation & Lipinski / Veber filters
XGBoost GNN
08
Output
Ranked compound list, interaction report, ADMET summary
PDF report SDF
Engagement

How we work

A structured, transparent process from first contact to final deliverable.

01

Define the question

We review your scientific problem, objectives, and constraints to scope a realistic and reproducible approach.

02

Assess data and requirements

We evaluate available datasets, data quality, access requirements, and any ethical or regulatory considerations.

03

Design the workflow

We design an analytical or software workflow with defined inputs, methods, validation steps, and expected outputs.

04

Execute and validate

We run the analysis, validate results against appropriate controls, and document every step for full reproducibility.

05

Deliver results

Deliverables - code, reports, models, or software - are agreed in advance. We discuss findings and support next-step decisions.

Scope and deliverables are agreed per project. Submit a project brief to start the conversation.

Have a research or technology challenge?

Tell us about your scientific question, dataset, or software requirements. We will review the project details and discuss an appropriate approach.