Valerie J. Gillet

69 papers B 1Journal 65Unranked 2
YearRankTypeTitle / Venue / Authors
2025 J jnl
J. Cheminformatics
Jessica Stacey, Baptiste Canault, Stephen D. Pickett, Valerie J. Gillet
2024 J jnl
J. Chem. Inf. Model.
Moritz Walter, Samuel J. Webb, Valerie J. Gillet
2023 conf
iConference (1)
Mengyisong Zhao, Morgan Harvey, David Cameron, Frank Hopfgartner, Valerie J. Gillet
2023 J jnl
CoRR
Mengyisong Zhao, Morgan Harvey, David Cameron, Frank Hopfgartner, Valerie J. Gillet
2022 J jnl
J. Cheminformatics
Moritz Walter, Luke N. Allen, Antonio de la Vega de León, Samuel J. Webb, Valerie J. Gillet
2022 conf
ICCSA (Workshops 2)
Savíns Puertas-Martín, Juana López Redondo, Antonio-Jesús Banegas-Luna, Ester M. Garzón, Horacio Emilio Pérez Sánchez, Valerie J. Gillet, Pilar M. Ortigosa
2020 J jnl
J. Comput. Aided Mol. Des.
Gian Marco Ghiandoni, Michael J. Bodkin, Beining Chen, Dimitar Hristozov, James E. A. Wallace, James Webster, Valerie J. Gillet
2019 J jnl
J. Chem. Inf. Model.
Matthew P. Seddon, David A. Cosgrove, Martin J. Packer, Valerie J. Gillet
2019 J jnl
J. Chem. Inf. Model.
Gian Marco Ghiandoni, Michael J. Bodkin, Beining Chen, Dimitar Hristozov, James E. A. Wallace, James Webster, Valerie J. Gillet
2018 J jnl
J. Cheminformatics
Antonio de la Vega de León, Beining Chen, Valerie J. Gillet
2018 ed.
iConference
Gobinda Chowdhury, Julie McLeod, Valerie J. Gillet, Peter Willett
2015 J jnl
J. Chem. Inf. Model.
Eleanor J. Gardiner, Valerie J. Gillet
2014 J jnl
J. Chem. Inf. Model.
Richard Sherhod, Philip N. Judson, Thierry Hanser, Jonathan D. Vessey, Samuel J. Webb, Valerie J. Gillet
2014 J jnl
J. Chem. Inf. Model.
Sonny Gan, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet
2013 J jnl
J. Cheminformatics
Richard Sherhod, Valerie J. Gillet, Thierry Hanser, Philip N. Judson, Jonathan D. Vessey
2012 J jnl
J. Chem. Inf. Model.
Richard Sherhod, Valerie J. Gillet, Philip N. Judson, Jonathan D. Vessey
2012 J jnl
J. Chem. Inf. Model.
Richard L. Martin, Eleanor J. Gardiner, Stefan Senger, Valerie J. Gillet
2012 J jnl
J. Comput. Aided Mol. Des.
Robin Taylor, Jason C. Cole, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet, Oliver Korb
2010 J jnl
J. Chem. Inf. Model.
George Papadatos, Muhammad Alkarouri, Valerie J. Gillet, Peter Willett, Visakan Kadirkamanathan, Christopher N. Luscombe, Gianpaolo Bravi, Nicola J. Richmond, Stephen D. Pickett, Jameed Hussain, John Pritchard, Anthony W. J. Cooper, Simon J. F. Macdonald
2009 J jnl
J. Chem. Inf. Model.
George Papadatos, Anthony W. J. Cooper, Visakan Kadirkamanathan, Simon J. F. Macdonald, Iain M. McLay, Stephen D. Pickett, John Pritchard, Peter Willett, Valerie J. Gillet
2009 J jnl
J. Chem. Inf. Model.
Hina Patel, Michael J. Bodkin, Beining Chen, Valerie J. Gillet
2009 J jnl
J. Chem. Inf. Model.
Eleanor J. Gardiner, David A. Cosgrove, Robin Taylor, Valerie J. Gillet
2009 J jnl
Stat. Anal. Data Min.
Eleanor J. Gardiner, Valerie J. Gillet, Maciej Haranczyk, Jérôme Hert, John D. Holliday, Nurul Malim, Yogendra Patel, Peter Willett
2009 J jnl
J. Chem. Inf. Model.
Kristian Birchall, Valerie J. Gillet, Peter Willett, Pierre Ducrot, Claude Luttmann
2008 J jnl
J. Chem. Inf. Model.
Kirstin Moffat, Valerie J. Gillet, Martin Whittle, Gianpaolo Bravi, Andrew R. Leach
2008 J jnl
J. Chem. Inf. Model.
Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett
2008 J jnl
J. Chem. Inf. Model.
Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett
2007 J jnl
J. Assoc. Inf. Sci. Technol.
Martin Whittle, Barry Eaglestone, Nigel Ford, Valerie J. Gillet, Andrew D. Madden
2007 J jnl
J. Chem. Inf. Model.
Eleanor J. Gardiner, Valerie J. Gillet, Peter Willett, David A. Cosgrove
2006 J jnl
J. Chem. Inf. Model.
Martin Whittle, Valerie J. Gillet, Peter Willett, Jens Loesel
2006 J jnl
J. Chem. Inf. Model.
Martin Whittle, Valerie J. Gillet, Peter Willett, Jens Loesel
2006 J jnl
J. Comput. Aided Mol. Des.
Simon J. Cottrell, Valerie J. Gillet, Robin Taylor
2006 J jnl
J. Chem. Inf. Model.
Milan Ganguly, Nathan Brown, Ansgar Schuffenhauer, Peter Ertl, Valerie J. Gillet, Paulette A. Greenidge
2006 J jnl
Inf. Res.
Martin Whittle, Barry Eaglestone, Nigel Ford, Valerie J. Gillet, Andrew D. Madden
2006 J jnl
J. Chem. Inf. Model.
Edward J. Barker, David Buttar, David A. Cosgrove, Eleanor J. Gardiner, Paula Kitts, Peter Willett, Valerie J. Gillet
2006 J jnl
J. Chem. Inf. Model.
Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett
2005 J jnl
J. Chem. Inf. Model.
Rajendra Kristam, Valerie J. Gillet, Richard A. Lewis, David A. Thorner
2004 J jnl
J. Chem. Inf. Model.
Martin Whittle, Valerie J. Gillet, Peter Willett, Alexander Alex, Jens Loesel
2004 J jnl
J. Comput. Aided Mol. Des.
Simon J. Cottrell, Valerie J. Gillet, Robin Taylor, David J. Wilton
2003 J jnl
J. Inf. Sci.
Neal Bishop, Valerie J. Gillet, John D. Holliday, Peter Willett
2003 J jnl
J. Chem. Inf. Comput. Sci.
Edward J. Barker, Eleanor J. Gardiner, Valerie J. Gillet, Paula Kitts, Jeff Morris
2003 J jnl
J. Chem. Inf. Comput. Sci.
Trudi Wright, Valerie J. Gillet, Darren V. S. Green, Stephen D. Pickett
2003 J jnl
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Peter Willett, John Bradshaw
2002 J jnl
J. Comput. Aided Mol. Des.
Yogendra Patel, Valerie J. Gillet, Gianpaolo Bravi, Andrew R. Leach
2002 J jnl
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Wael Khatib, Peter Willett, Peter J. Fleming, Darren V. S. Green
2002 J jnl
J. Comput. Aided Mol. Des.
Valerie J. Gillet
2001 J jnl
J. Comput. Aided Mol. Des.
Paul Watson, Peter Willett, Valerie J. Gillet, Marcel L. Verdonk
2000 J jnl
J. Chem. Inf. Comput. Sci.
Ansgar Schuffenhauer, Valerie J. Gillet, Peter Willett
1999 B conf
RECOMB
Martin J. Bayley, Valerie J. Gillet, Peter Willett, John Bradshaw, Darren V. S. Green
1999 J jnl
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Peter Willett, John Bradshaw, Darren V. S. Green
1998 J jnl
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Peter Willett, John Bradshaw
1998 J jnl
Comput. J.
Valerie J. Gillet, David J. Wild, Peter Willett, John Bradshaw
1997 J jnl
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Peter Willett, John Bradshaw
1995 J jnl
J. Chem. Inf. Comput. Sci.
Paulina Mata, Valerie J. Gillet, A. Peter Johnson, Jorge Lampreia, Glenn J. Myatt, Sandor Sike, Anna L. Stebbings
1994 J jnl
J. Chem. Inf. Comput. Sci.
John D. Holliday, Geoffrey M. Downs, Valerie J. Gillet, Michael F. Lynch, Winfried Dethlefsen
1994 J jnl
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, William Newell, Paulina Mata, Glenn J. Myatt, Sandor Sike, Zsolt Zsoldos, A. Peter Johnson
1993 J jnl
J. Chem. Inf. Comput. Sci.
John D. Holliday, Geoffrey M. Downs, Valerie J. Gillet, Michael F. Lynch
1993 J jnl
J. Comput. Aided Mol. Des.
Valerie J. Gillet, A. Peter Johnson, Paulina Mata, Sandor Sike, Philip Williams
1992 J jnl
J. Chem. Inf. Comput. Sci.
John D. Holliday, Geoffrey M. Downs, Valerie J. Gillet, Michael F. Lynch
1991 J jnl
J. Chem. Inf. Comput. Sci.
Winfried Dethlefsen, Michael F. Lynch, Valerie J. Gillet, Geoffrey M. Downs, John D. Holliday, John M. Barnard
1991 J jnl
J. Chem. Inf. Comput. Sci.
Winfried Dethlefsen, Michael F. Lynch, Valerie J. Gillet, Geoffrey M. Downs, John D. Holliday, John M. Barnard
1991 J jnl
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Geoffrey M. Downs, John D. Holliday, Michael F. Lynch, Winfried Dethlefsen
1989 J jnl
J. Chem. Inf. Comput. Sci.
Geoffrey M. Downs, Valerie J. Gillet, John D. Holliday, Michael F. Lynch
1989 J jnl
J. Chem. Inf. Comput. Sci.
Geoffrey M. Downs, Valerie J. Gillet, John D. Holliday, Michael F. Lynch
1989 J jnl
J. Chem. Inf. Comput. Sci.
Geoffrey M. Downs, Valerie J. Gillet, John D. Holliday, Michael F. Lynch
1989 J jnl
J. Chem. Inf. Comput. Sci.
Geoffrey M. Downs, Valerie J. Gillet, John D. Holliday, Michael F. Lynch
1988 J jnl
Parallel Comput.
Andrew T. Brint, Valerie J. Gillet, Michael F. Lynch, Peter Willett, Gordon A. Manson, George A. Wilson
1987 J jnl
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Geoffrey M. Downs, Ai Ling, Michael F. Lynch, Pallapa Venkataram, Jennifer V. Wood, Winfried Dethlefsen
1986 J jnl
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Stephen M. Welford, Michael F. Lynch, Peter Willett, John M. Barnard, Geoffrey M. Downs, Gordon A. Manson, J. Thompson
s3-storage/s3_test.py
← Index s3-storage/s3_test.py python
#!/usr/bin/env python3
"""
Simple script to test S3 connectivity and download.
Usage: python s3_test.py
"""

import os
import time
import tempfile
from minio import Minio
from minio.error import S3Error
from dotenv import load_dotenv

# Load environment variables
load_dotenv()

def get_minio_client():
    """Create and return a Minio client using credentials from .env file"""
    endpoint = os.getenv("S3_ENDPOINT")
    access_key = os.getenv("S3_ACCESS_KEY")
    secret_key = os.getenv("S3_SECRET_KEY")
    secure = True 
    
    print(f"Connecting to S3 endpoint: {endpoint} (secure={secure})")
    
    return Minio(
        endpoint=endpoint,
        access_key=access_key,
        secret_key=secret_key,
        secure=secure
    )

def test_connection():
    """Test basic connectivity to S3"""
    try:
        client = get_minio_client()
        
        # Try to list buckets as a basic connectivity test
        buckets = client.list_buckets()
        print(f"Successfully connected to S3. Found {len(buckets)} buckets:")
        for bucket in buckets:
            print(f"  - {bucket.name}")
        
        return client
    except Exception as e:
        print(f"Failed to connect to S3: {e}")
        return None

def test_bucket_access(client, bucket_name):
    """Test access to a specific bucket"""
    try:
        exists = client.bucket_exists(bucket_name)
        if exists:
            print(f"Bucket '{bucket_name}' exists and is accessible")
            
            # List a few objects to verify access
            count = 0
            objects = []
            for obj in client.list_objects(bucket_name, recursive=True):
                print(f"  - {obj.object_name} ({obj.size} bytes)")
                objects.append(obj)
                count += 1
                if count >= 5:
                    break
            
            print(f"Found at least {len(objects)} objects in bucket")
            return objects
        else:
            print(f"Bucket '{bucket_name}' does not exist or is not accessible")
            return []
    except Exception as e:
        print(f"Error accessing bucket '{bucket_name}': {e}")
        return []

def test_download(client, bucket_name, object_name):
    """Test downloading a specific object"""
    try:
        print(f"Attempting to download: {object_name}")
        start_time = time.time()
        
        # Create a temporary file to store the downloaded object
        with tempfile.NamedTemporaryFile(delete=False) as temp_file:
            temp_path = temp_file.name
        
        # Download the object
        client.fget_object(bucket_name, object_name, temp_path)
        
        # Check if the file was downloaded successfully
        file_size = os.path.getsize(temp_path)
        elapsed_time = time.time() - start_time
        
        print(f"Download successful: {file_size} bytes in {elapsed_time:.2f} seconds")
        print(f"Average download speed: {file_size/elapsed_time/1024:.2f} KB/s")
        
        # Clean up
        os.unlink(temp_path)
        return True
    except S3Error as e:
        print(f"S3 Error during download: {e}")
        return False
    except Exception as e:
        print(f"Error downloading object: {e}")
        return False

def main():
    """Main function to run all tests"""
    print("=== S3 Connectivity Test ===")
    
    # Test basic connectivity
    client = test_connection()
    if not client:
        return
    
    # Get bucket name from environment variable
    bucket_name = "redb"
    print(f"\n=== Testing Access to Bucket: {bucket_name} ===")
    objects = test_bucket_access(client, bucket_name)
    
    if objects:
        # Test downloading the first object
        first_object = objects[0].object_name
        print(f"\n=== Testing Download of Object: {first_object} ===")
        test_download(client, bucket_name, first_object)
        
        # If the first one worked, let's try a specific file from the error log
        print(f"\n=== Testing Download of Specific Object ===")
        specific_object = "00/06/00062073114defac39cb7ab9cb99a0b77c535a09a241c60d47ddd0b6431629f1.zip"
        test_download(client, bucket_name, specific_object)

if __name__ == "__main__":
    main()