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martimunicoy
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peleffy-benchmarks
A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).
MIT License
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Protein benchmark
#16
martimunicoy
opened
3 years ago
0
Replace offpele with peleffy
#15
martimunicoy
closed
3 years ago
0
Solvent tools
#14
martimunicoy
closed
3 years ago
0
Structural benchmark to validate new dihedrals equation
#13
martimunicoy
opened
3 years ago
3
Minimization benchmark
#12
laumalo
opened
3 years ago
0
Structural benchmark
#11
martimunicoy
opened
4 years ago
0
Hydration energies benchmark
#10
martimunicoy
closed
3 years ago
3
Improve functions to call PELE's minimization
#9
martimunicoy
closed
4 years ago
3
Hydration free energies benchmark
#8
martimunicoy
opened
4 years ago
0
Add small set of ligands for the hydration energies test
#7
martimunicoy
closed
4 years ago
0
Function get_bonds does not keep whitespaces
#6
martimunicoy
closed
4 years ago
2
Geometry
#5
martimunicoy
closed
3 years ago
2
Laumalo rotamers
#4
martimunicoy
opened
4 years ago
0
Revert "Laumalo rotamers"
#3
martimunicoy
closed
4 years ago
0
Laumalo rotamers
#2
martimunicoy
closed
4 years ago
0
Add files via upload
#1
laumalo
closed
4 years ago
0