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dptech-corp
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Uni-GBSA
An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.
Apache License 2.0
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validate and repair for ligand
#41
Closed
Aunity
closed
1 year ago
Aunity
commented
1 year ago
add a new tool
unigbsa-validate
to validate and repair ligand.
fix some bugs
unigbsa-validate
to validate and repair ligand.