Hooshdaroo brings molecular dynamics, docking, toxicity prediction, and custom ML/DL model building together in one AI-powered cloud platform โ so your team can move from target to candidate in record time.
Every tool a computational chemist or AI researcher needs โ unified, scalable, and accelerated by deep learning.
Run high-fidelity MD simulations on GPU clusters to study protein folding, conformational changes, and binding stability over time.
Predict binding poses and affinities at scale with automated ligandโreceptor docking and AI-refined scoring functions.
Flag ADMET liabilities early with predictive models for hepatotoxicity, mutagenicity, cardiotoxicity, and more.
Train, validate, and deploy custom machine-learning and deep-learning models on your proprietary chemical data โ no MLOps required.
Use generative AI to propose novel, synthesizable molecules optimized for potency, selectivity, and drug-likeness.
Interactive dashboards, 3D structure viewers, and exportable reports keep your whole team aligned on every result.
A streamlined, end-to-end pipeline that automates the heavy lifting.
Bring your target structure or sequence and define your design objectives.
Launch MD and docking jobs across our elastic GPU cloud in a few clicks.
AI models score toxicity, ADMET, and binding to surface the best candidates.
Refine with generative design and export ready-to-share reports.
Start free, upgrade when your pipeline grows. No hidden fees.
For students & early exploration.
For active research teams.
For organizations at scale.