Andrew Dalke

Publication Activity (10 Years)

Years Active: 1996-2020
Publications (10 Years): 3

Top Topics

Fingerprint Verification

Real World Data Sets

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Andrew Dalke
Correction to: The chemfp project. J. Cheminformatics 12 (1) (2020)
Andrew Dalke
The chemfp project. J. Cheminformatics 11 (1) (2019)
Andrew Dalke, Jérôme Hert, Christian Kramer
mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets. J. Chem. Inf. Model. 58 (5) (2018)
Andrew Dalke
The FPS fingerprint format and chemfp toolkit. J. Cheminformatics 5 (S-1) (2013)
Andrew Dalke, Janna Hastings
FMCS: a novel algorithm for the multiple MCS problem. J. Cheminformatics 5 (S-1) (2013)
Andrew Dalke
chemfp - fast and portable fingerprint formats and tools. J. Cheminformatics 3 (S-1) (2011)
Peter J. A. Cock, Tiago Antao, Jeffrey T. Chang, Brad A. Chapman, Cymon J. Cox, Andrew Dalke, Iddo Friedberg, Thomas Hamelryck, Frank Kauff, Bartek Wilczynski, Michiel J. L. de Hoon
Biopython: freely available Python tools for computational molecular biology and bioinformatics. Bioinform. 25 (11) (2009)
Michael Zeller, James C. Phillips, Andrew Dalke, William Humphrey, Klaus Schulten, Thomas S. Huang, Vladimir Pavlovic, Yunxin Zhao, Zion Lo, Stephen M. Chu, Rajeev Sharma
A Visual Computing Environment for Very Large Scale Biomolecular Modeling. ASAP (1997)
Mark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten
NAMD: a Parallel, Object-Oriented Molecular Dynamics Program. Int. J. High Perform. Comput. Appl. 10 (4) (1996)