Elastic High Performance Computing (HPC) technology is now available to worldwide researchers to accelerate drug and vaccine discovery and public health development efforts against worldwide outbreak of new coronavirus disease (COVID-19).
So far, this technology has supported around 20 research groups implementing their research on COVID-19 with solutions such as AI-driven drug design, CT imaging diagnostics and bioinformatics metatranscriptomics. The intelligent CT diagnostic system on COVID-19 pneumonia developed by Tsinghua University is able to complete diagnose of the suspected case in 10 seconds. The bioinformatic dataset transfer rate is speeded up by 5 times, and the performance of gene assembly is accelerated by 25% for Sun Yat-sen University. Jingtai technology has speeded up the drug virtual screening time from more than one month to one week, which has greatly accelerated the drug in vitro test process.
Elastic High Performance Computing (E-HPC) technology presents an HPC+AI platform for researchers on life sciences applications and solutions running on cloud, especially for Computational- Driven-Drug-Design (CDDD) and AI-driven-Drug-Design (AIDDD) for COVID-19, and helps researchers to focus solely on research
These three use cases from global researchers utilize Elastic HPC technology directly in life sciences research on COVID-19, or get access to the research platform upon Global Health Drug Discovery Institute (GHDDI). GHDDI's drug research and development platform has been successfully established and responded over 100 external researchers.
To accelerate research process, E-HPC technology provides high performance instances with RoCE network and GPGPU, and performance tuned software packages, such as Gromacs and NAMD. Biopharmaceutical researchers could log in the cluster using SSH and conduct the researches directly.
Because this E-HPC is an open platform, biopharmaceutical partners of this program are able to integrate their solutions in the E-HPC cluster, and combine the solutions and compute resources in one to open to their partners. For example, Global Health Drug Discovery Institute (GHDDI) has established the “Federated Data and AI System for Collaborative Drug Discovery" platform. Researchers of GHDDI partners can also use E-HPC cluster through GHDDI platform.
Elastic HPC technology provides parallel computing clusters with data transfer acceleration to support bioinformatics meta-transcriptomics analysis process. E-HPC service implements remote genetic data transfer, decompression, assembling, alignment, and mapping through computation process.
By leveraging the feature of cross-region data transfer acceleration, data from the public database can be quickly transferred to customers' local computing clusters.
Global Health Drug Discovery Institute (GHDDI) has built a high performance computational drug discovery system specifically designed for COVID-19 with Elastic HPC technology.
GHDDI with partners have already made comprehensive computational efforts for COVID-19 drug discovery. GHDDI now invites worldwide scientific communities to work upon previous efforts together to maximize efficiency and minimize redundant efforts.
The COVID-19 Drug Discovery Cloud Computing System offers:
• GHDDI COVID-19 Data Repositories: Antiviral pharmacology database, 3D structure data for SARS-CoV-2 targets and related host targets, and virtual compound libraries covering millions of commercially available compounds.
• Computational Systems: Trained AI drug screening models and fully configured deep learning environment based on Pytorch, conventional virtual screening system using tools like GOLD, AutoDock with parallelized processing capability and biophysics computational tools like Amber, NAMD for target mechanism study and free energy computation for docking refinement.
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