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20 Open 11 Closed
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Issues list

Add a note that this repo has been deprecated
#69 opened Apr 30, 2017 by jchodera
Look into performance regression introduced by exceptions overhaul in 1.2.1
#66 opened Feb 6, 2017 by jchodera
4
Assign MIT License
#61 opened Nov 26, 2016 by jchodera
Add sanity checks to alchemical factory
#57 opened Nov 8, 2016 by Lnaden
Add support for atom-by-atom alchemical intermediate definition
#56 opened Nov 8, 2016 by Lnaden
Improve PME overlap by computing reciprocal-space exceptions
#48 opened Oct 7, 2016 by jchodera
8
There may be something wrong with alchemical angles
#34 opened May 26, 2016 by jchodera
Allow alchemical_bonds, angles, and torsions to be specified as False
#33 opened May 25, 2016 by jchodera
Fix alchemical pathway
#28 opened Mar 21, 2016 by jchodera
Enable support for all OpenMM GBSA models
#22 opened Jan 29, 2016 by jchodera
2
Proposed API for DualTopologyFactory
#21 opened Nov 30, 2015 by jchodera
16
Proposed API changes for alchemy 2.0
#17 opened Nov 15, 2015 by jchodera alchemy 2.0
@jchodera
15
Switch to versioneer
#14 opened Nov 13, 2015 by jchodera
Reduce test time on travis
#12 opened Nov 12, 2015 by jchodera
alchemy-dev conda package is not being pushed
#10 opened Nov 12, 2015 by jchodera
@jchodera
Rename context parameters from lambda_[name] to alchemy_[name] in release 2.0` enhancement
#9 opened Nov 11, 2015 by jchodera alchemy 2.0
Eliminate ligand_atoms and receptor_atoms in favor of a single alchemical_atoms
#6 opened Oct 17, 2015 by jchodera alchemy 2.0
Don't use openmm-dev with alchemy
#5 opened Oct 15, 2015 by jchodera
Add API to allow bonds, angles, and torsions to be alchemically softened
#4 opened Oct 15, 2015 by jchodera
Not sure why python 3.x is not building
#2 opened Sep 21, 2015 by jchodera
ProTip! Updated in the last three days: updated:>2024-05-02.