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Title: Issues · MobleyLab/FreeSolv · GitHub

Open Graph Title: Issues · MobleyLab/FreeSolv

X Title: Issues · MobleyLab/FreeSolv

Description: Experimental and calculated small molecule hydration free energies - Issues · MobleyLab/FreeSolv

Open Graph Description: Experimental and calculated small molecule hydration free energies - Issues · MobleyLab/FreeSolv

X Description: Experimental and calculated small molecule hydration free energies - Issues · MobleyLab/FreeSolv

Opengraph URL: https://github.com/MobleyLab/FreeSolv

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Erroneous nitrates in SDF fileshttps://github.com/MobleyLab/FreeSolv/issues/55
IAlibayhttps://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3AIAlibay
Potential issues with the experimental hydration free energies for mobley_4850657 (methanesulfonyl chloride) and mobley_9201263 (methyl methanesulfonate)?https://github.com/MobleyLab/FreeSolv/issues/54
xiaowei-xie2https://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Axiaowei-xie2
Charge in consistency between the files in gromacs_solvated.tar.gz and gromacs.tar.gzhttps://github.com/MobleyLab/FreeSolv/issues/53
dingye18https://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Adingye18
Is gromacs_energies available to download anywhere?https://github.com/MobleyLab/FreeSolv/issues/52
xiaowei-xie2https://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Axiaowei-xie2
mobley_3323117 (sulfolane) has non-standard SMILEShttps://github.com/MobleyLab/FreeSolv/issues/51
jchoderahttps://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Ajchodera
gromacs-mdp:with verlet lists rcoulomb!= rvdw is not supportedhttps://github.com/MobleyLab/FreeSolv/issues/49
yuchen22https://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Ayuchen22
Sanitize SDF fileshttps://github.com/MobleyLab/FreeSolv/issues/48
proteneerhttps://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Aproteneer
Problems with processing some SMILES - omega returned error code 0https://github.com/MobleyLab/FreeSolv/issues/47
kadiliissaarhttps://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Akadiliissaar
GAFF versionhttps://github.com/MobleyLab/FreeSolv/issues/44
nhenriksenhttps://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Anhenriksen
Set up Travis-CI testinghttps://github.com/MobleyLab/FreeSolv/issues/42
davidlmobleyhttps://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Adavidlmobley
Make CHARMM input files via ParmEdhttps://github.com/MobleyLab/FreeSolv/issues/35
davidlmobleyhttps://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Adavidlmobley
Update column names to be more informativehttps://github.com/MobleyLab/FreeSolv/issues/33
jchoderahttps://github.com/MobleyLab/FreeSolv/issues?q=is%3Aissue%20state%3Aopen%20author%3Ajchodera
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