A merged molecular representation learning for molecular properties prediction with a web-based service
H Kim, J Lee, S Ahn, JR Lee - Scientific Reports, 2021 - nature.com
Deep learning has brought a dramatic development in molecular property prediction that is
crucial in the field of drug discovery using various representations such as fingerprints, …
crucial in the field of drug discovery using various representations such as fingerprints, …
Employing Automated Machine Learning (AutoML) Methods to Facilitate the In Silico ADMET Properties Prediction
The rationale for using ADMET prediction tools in the early drug discovery paradigm is to
guide the design of new compounds with favorable ADMET properties and ultimately minimize …
guide the design of new compounds with favorable ADMET properties and ultimately minimize …
Performance analysis and optimization of AMGA for the large‐scale virtual screening
This paper addresses performance issues on ARDA Metadata Grid Application (AMGA) and
presents new techniques to improve the throughput of AMGA for the WISDOM environment. …
presents new techniques to improve the throughput of AMGA for the WISDOM environment. …
Geant4-MT: bringing multi-threading into Geant4 production
S Ahn, J Apostolakis, M Asai… - … MC 2013-Joint …, 2014 - sna-and-mc-2013-proceedings …
GEANT4-MT is the multi-threaded version of the GEANT4 particle transport code. (1, 2) The
key goals for the design of GEANT4-MT have been a) the need to reduce the memory …
key goals for the design of GEANT4-MT have been a) the need to reduce the memory …
EDISON‐DATA: A flexible and extensible platform for processing and analysis of computational science data
S Ahn, J Lee, J Kim, JSR Lee - Software: Practice and …, 2019 - Wiley Online Library
With the recent emergence of new paradigm, ie, open science and big data, the need for data
sharing and collaboration is becoming important in the computational science field as well. …
sharing and collaboration is becoming important in the computational science field as well. …
LTER Platform: Requirement, Technology and Trend
S Ahn, S Hwang, JH Jang, SH Lee… - International Journal of …, 2015 - earticle.net
Objective of the long-term ecological research is to monitor environmental changes due to
climate change and track the consequences, to cope with the environmental issues that may …
climate change and track the consequences, to cope with the environmental issues that may …
Improvement of task retrieval performance using AMGA in a large-scale virtual screening
In this paper, we address performance and scalability issues when AMGA is used as a
metadata service for task retrieval in the WISDOM environment, and propose optimization …
metadata service for task retrieval in the WISDOM environment, and propose optimization …
[PDF][PDF] Conceptual design of a data repository for the Korea LTER community
The KNLTER project had contributed to accumulating ecological knowledge on environmental
change and to providing a basis for future ecosystem management planning and …
change and to providing a basis for future ecosystem management planning and …
PC/MPI: Design and implementation of a portable MPI checkpointer
S Ahn, J Kim, S Han - … Parallel Virtual Machine/Message Passing Interface …, 2003 - Springer
Most MPI checkpointers are substantially or even totally dependent on a specific MPI
implementation or platform, so they may not be portable. In this paper we present design and …
implementation or platform, so they may not be portable. In this paper we present design and …
KNLTER Network: Facilitating Global Data-Sharing
Reliable data sharing and long-term data archiving and reuse are becoming very important
in global cooperative research. Concomitantly, many types of global data-based research …
in global cooperative research. Concomitantly, many types of global data-based research …