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List of works by Andrew Dalke

Biopython: freely available Python tools for computational molecular biology and bioinformatics

scientific article

Correction to: The chemfp project

scientific article published on 28 September 2020

DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures

FMCS: a novel algorithm for the multiple MCS problem

scientific article (publication date: 2013)

MDScope — a visual computing environment for structural biology

scientific article published in September 1995

NAMD: a Parallel, Object-Oriented Molecular Dynamics Program

scientific article published in December 1996

Parsers for SMILES and SMARTS.

scientific article published on 26 March 2008

RISC and Dense Fingerprints

Tables from Growth and Change of the World's Chemical Literature as Reflected in Chemical Abstracts

The FPS fingerprint format and chemfp toolkit.

scientific article published on 22 March 2013

The chemfp Project

scientific article published on 5 June 2019

The chemfp project

VMD: visual molecular dynamics

1996 scientific article

mmpdb: An Open Source Matched Molecular Pair Platform for Large Multi-Property Datasets

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets

scientific article published on 17 May 2018

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