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Degiacomi-Lab
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molearn
protein conformational spaces meet machine learning
https://degiacomi.org/software/molearn/
GNU General Public License v3.0
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added flag to save json log file and improved trajectory preparation
#21
gwirn
closed
3 weeks ago
0
File format independent data loading
#20
gwirn
closed
1 month ago
0
Clustering
#19
gwirn
closed
1 month ago
0
added formatting to verbose and logfile, fixed multiprocessing porblem and GPU usage in analysis_example
#18
gwirn
closed
1 month ago
0
upgrading to v2.0.4 and modified handling of OpenMM or plugin not bei…
#17
SCMusson
closed
7 months ago
0
implicit siren model
#16
SCMusson
opened
8 months ago
0
[Feat] working sinkhorn version and gradient checkpointing in batch dimension
#15
SCMusson
opened
8 months ago
1
[Please don't merge] New potential features in analyser
#14
SCMusson
opened
8 months ago
0
[Feature] Avoid overriding results and default soft nonbonded energy
#13
SCMusson
closed
8 months ago
0
BUG: cannot use Openmm
#12
jirsat
closed
10 months ago
2
[JOSS] General Code Comments
#11
JoaoRodrigues
closed
11 months ago
4
[JOSS] Manuscript Comments
#10
JoaoRodrigues
closed
11 months ago
2
[JOSS] Tests
#9
RMeli
closed
1 year ago
2
[JOSS] Examples
#8
RMeli
closed
1 year ago
4
[JOSS] Paper
#7
RMeli
closed
1 year ago
2
[JOSS] Installation
#6
RMeli
closed
1 year ago
11
Disappearing kwargs
#5
ryankzhu
closed
1 year ago
2
Wrongly determined C terminal residue
#4
ryankzhu
closed
1 year ago
5
Confusion about Coupling Molecular Dynamics and Deep Learning to Mine Protein Conformational Space
#3
ABChh26
closed
2 years ago
2
Does not work with the chignolin molecule also
#2
anandojha
closed
2 years ago
1
Could not recognize the alanine dipeptide molecule because of ALA and NME residues
#1
anandojha
closed
2 years ago
1