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Topics (1054)
Replies Last Post Views
Append molecular formula and molecular weight to SMILES format list by RicardoMBorges
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by RicardoMBorges
Buy original and registered ielts and toefl certificates in Finland,+237670878487 by MelisaThomas65
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by MelisaThomas65
Buy original and registered ielts and toefl certificates in Norway,+237670878487 by MelisaThomas65
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by MelisaThomas65
Buy original and registered ielts and toefl certificates in Sweden,+237670878487 by MelisaThomas65
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by MelisaThomas65
BUY ORIGINAL,TOEFL,IELTS,TOEIC,PASSPORT,ID CARDS,VISA,DRIVING LICENSE by morganrich122
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by morganrich122
Reading multiple charge types from Gaussian output by Mohammad Mehdi Ghahr...
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by elizadd
No possible SMILES? by Noel O'Boyle
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by robertfcrocker
Ring conformations from builder by Stefano Forli
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by Geoff Hutchison
pull request for an old patch by Mohammad Mehdi Ghahr...
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by Mohammad Mehdi Ghahr...
Isotope table by Noel O'Boyle
1
by Geoff Hutchison
JSON parsing of elements by Noel O'Boyle
2
by Noel O'Boyle
Output of charge to sdf file or inchi by David van der Spoel
1
by Geoff Hutchison
Reading molecular coordinates in standard orientation by Mohammad Mehdi Ghahr...
1
by David van der Spoel
Explicit "implicit hydrogen" count and kekulisation now merged by Noel O'Boyle
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by Noel O'Boyle
Appveyor tests by Noel O'Boyle
10
by mwojcikowski
simply Mary Verducci along with by Arielmiranda
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by Arielmiranda
how to minimize molecular structure energy by AM1 forcefield by Yalda
1
by Noel O'Boyle
A Have To Understand On Purchasing Quality Soccer Jersey by LINBIOER
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by LINBIOER
Pybel and pip install problems by Noel O'Boyle
1
by Geoff Hutchison
FYI, Implicit hydrogens and kekulization branch by Noel O'Boyle
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by Geoff Hutchison
GSoC project introduction - C.C. web repository by Nitish Garg
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by Noel O'Boyle
BEP: Proposal for removal of Kekule and Aromatic Bond Orders by Noel O'Boyle
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by Noel O'Boyle
Moving trackers from SF to GitHub by Noel O'Boyle
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by Noel O'Boyle
API/ABI changes review for OpenBabel by Andrey Ponomarenko
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by Noel O'Boyle
Mailing list change proposal by Noel O'Boyle
3
by Geoff Hutchison
Convenience functions by Noel O'Boyle
12
by Stefano Forli
Change to SMILES writer for hypervalent atoms by Noel O'Boyle
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by Noel O'Boyle
Proposal to overhaul/replace OBElementTable by Noel O'Boyle
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by Noel O'Boyle
Proposal to remove all duplicated std::string versus const char* methods by Noel O'Boyle
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by Noel O'Boyle
Migrating bugs, features from SourceForge to GitHub by Geoff Hutchison
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by Noel O'Boyle
Race conditions by Noel O'Boyle
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by Noel O'Boyle
OBMol ctor error on OBDotNet by JohniMichels
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by JohniMichels
Replacement of aromatic.txt SMARTS patterns with switch statement by Noel O'Boyle
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by Noel O'Boyle
How to get the list of integers from an ECFP4 fingerprint? by Francois BERENGER-3
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by Francois BERENGER-3
FASTA File by Joshua Barnett
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by Geoff Hutchison
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