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13 Open 66 Closed
13 Open 66 Closed
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Issues list

Error when use_peleffy: true in both versions of pele_platform
#165 opened Dec 17, 2021 by etiur
Alchemistry docs documentation Improvements or additions to documentation
#160 opened Dec 15, 2021 by martimunicoy
Add examples for peleffy 1.3.0 documentation Improvements or additions to documentation good first issue Good for newcomers
#141 opened Apr 20, 2021 by martimunicoy
@laumalo
Report the basic guideline of the Impact template in the documentation documentation Improvements or additions to documentation
#110 opened Nov 26, 2020 by martimunicoy
Support OpenFF's constraints
#102 opened Nov 23, 2020 by martimunicoy
Support OpenFF's LibraryCharges
#101 opened Nov 23, 2020 by martimunicoy
Add individual tests for the RDKit toolkit testing Testing and benchmarking development
#96 opened Nov 17, 2020 by martimunicoy
Correction of bad geometries
#95 opened Nov 17, 2020 by carlesperez94
1
Test offpele with complex non-standard residues testing Testing and benchmarking development
#81 opened Oct 30, 2020 by martimunicoy
1
Specify dependency versions enhancement New feature or request
#75 opened Oct 21, 2020 by martimunicoy
Consider replacing the use of label_molecules() by create_openmm_system() from OFF's ForceField question Further information is requested
#25 opened Aug 6, 2020 by martimunicoy
Check compatibility between 1-4 scaling factors between OpenFF and PELE question Further information is requested
#24 opened Aug 6, 2020 by martimunicoy
Workflow to automatically parameterize protein residues enhancement New feature or request
#4 opened Jul 14, 2020 by martimunicoy
@martimunicoy
2
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