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@dbucher1234
Denis Bucher dbucher1234
Computational chemist specialised in drug discovery and structural bioinformatics

Basel

@Netabolics
Netabolics Netabolics
AI-Driven Biosimulation for Drug Discovery

Italy

@unslothai
Unsloth AI unslothai
Open-source Fine-tuning & Training of LLMs 🦥

United States of America

@durrantlab
Durrant Lab durrantlab
The Durrant lab at the University of Pittsburgh develops and applies broadly applicable, innovative techniques for computer-aided drug discovery.

United States of America

@bioexcel
BioExcel bioexcel
Center of Excellence for Computational Biomolecular Research
@deepmodeling
DeepModeling deepmodeling
Define the future of scientific computing together
@Kaggle
Kaggle Kaggle
The Home of Data Science

San Francisco, California

@SergeiVKalinin
Sergei V. Kalinin SergeiVKalinin
I like using machine learning to solve problem in physics, from discovering physical laws from microscopy data, making better materials, and atomic manipulation

University of Tennessee, Knoxville

@AspirinCode
Jianmin Wang AspirinCode
Drug Design , Linux enthusiast , Medicinal_Chemistry_&_ Synthesis , Chemoinformatics , Data Science, Python and C/C++ programmer,Bioinformatics,Deep Learning,AI

Yonsei University 中国(China)

@Honza-R
Jan Rezac Honza-R
Computational chemist

Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences Prague, Czech Republic

@neuraloperator
NeuralOperator neuraloperator
Learning Neural Operators in PyTorch
@Psivant
Psivant Psivant

United States of America

@opensourceantibiotics
OpenSourceAntibiotics opensourceantibiotics
A consortium of researchers interested in open ways to discover and develop new, inexpensive medicines for bacterial infections. Join in!
@THGLab
THGLab THGLab
Teresa Head-Gordon's Research Group

University of California, Berkeley

@Acellera
Acellera Acellera
Towards Computerized Drug Discovery

London, Barcelona

@kexinhuang12345
Kexin Huang kexinhuang12345
PhD Student @ Stanford CS

Bay Area

@schrodinger
Schrodinger, Inc. schrodinger

United States of America

@speleo3
Thomas Holder speleo3
Bioinformatician by training. Previously PyMOL @schrodinger and compchem @leukocare. Now trying to make sense of bioprocess data at Rentschler.

Rentschler Biopharma Germany

@datamol-io
datamol.io datamol-io
molecular modeling made easy

The molecular space

@whitead
Andrew White whitead

University of Rochester/FutureHouse San Francisco, CA

@josejimenezluna
José Jiménez-Luna josejimenezluna
Driving drug discovery one gradient update at a time.

@MicrosoftResearch Cambridge, UK

@ersilia-os
Ersilia Open Source Initiative ersilia-os
Ersilia is a charity developing open source tools to facilitate global health drug discovery, with a focus on neglected diseases, for equal healthcare

Spain

@Amber-MD
Amber Molecular Dynamics Amber-MD
For experienced Amber users: development versions of some parts of AmberTools
@MDAnalysis
MDAnalysis MDAnalysis
working with data in the computational molecular sciences

United States of America

@openmm
OpenMM openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code
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