AI and CC Solutions for Drug Discovery

SciCalQ provides advanced Artificial Intelligence (AI) and Computational Chemistry (CC) solutions to accelerate the process of new drug discovery and design.

Our Solutions

Various solutions for the early stage of the drug screening and design.


AI based Drug Discovery

1. AI-based Molecular Generation

2. AI-based Drug Screening

3. AI-based Molecular Design

4. Physical Properties Prediction

Scientific Computing

Computational Chemistry

1. DFT, QM/MM Computation

2. MD, MC Simulation Service

3. HPC Cluster Rental 

4. Computational Consulting

Data Visualization

1. Medical Data

2. Drug Data

3. Chemical Data

4. Web-based GIS data

About SciCalQ

SciCalQ, established in 2017, is a tech-based company providing AI solutions & computational chemistry services to academic or industrial organizations. We mainly focus on the artificial intelligence (AI) solutions in drug discovery, including the physical property predictions for lead compounds, ranking in drug repurposing, molecular dynamic (MD) simulations for large systems, etc. Our solutions have been applied in helping the doctors found proper drugs in the fight of COVID-19.

We are formed by a group of enthusiastic young people who have professional backgrounds in computational chemistry and machine learning, and committed to making drug discovery more intelligent. Now, as a pioneer, SciCalQ is ready to provide the best products and services to clients all over the world.

AI for Drug Discovery

" We hope DFT service for chemists can be as convenient as scanning tunneling microscopy."

Our Partner