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popelier-group
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ichor
Computational Chemistry Data Management Library for Machine Learning Force Field Development
https://ichor.readthedocs.io/
MIT License
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Change training set initialization (from min-max)
#15
m-julian
closed
1 year ago
0
Create Globals Class
#14
MattBurn
closed
4 years ago
0
Add Other Expected Improvement Metrics
#13
MattBurn
closed
4 years ago
0
Make Sets - Keep track of which points were selected
#12
MattBurn
closed
1 year ago
0
Cleanup Submission Scripts Implementation
#11
MattBurn
closed
4 years ago
0
Update To Do list
#10
m-julian
closed
4 years ago
0
Merge pull request #7 from popelier-group/Yulian
#9
m-julian
closed
4 years ago
0
merge master into Yulian
#8
m-julian
closed
4 years ago
0
Added bench marking
#7
m-julian
closed
4 years ago
0
added remove ' for config file
#6
m-julian
closed
4 years ago
0
Added flexibility in wft to gjf in ICHOR
#5
m-julian
closed
4 years ago
0
Update ICHOR.py
#4
m-julian
closed
4 years ago
0
Updated names of figures in README file and Changes type to float from int64
#3
m-julian
closed
4 years ago
0
Title of folder containing ICHOR.py can't have underscores
#2
m-julian
closed
4 years ago
0
Update ICHOR.py
#1
m-julian
closed
4 years ago
0
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