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wesleybeckner
/
gains
project that enables molecular design and computational screening of small molecules
MIT License
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Bump flask from 1.0.2 to 2.3.2 in /scripts/visualize
#12
dependabot[bot]
opened
1 year ago
0
Bump numpy from 1.14.1 to 1.22.0 in /scripts/visualize
#11
dependabot[bot]
opened
2 years ago
0
new adaptive module contains code for incorporating new md data into models, kde and pf distances
#10
wesleybeckner
closed
6 years ago
0
Convex
#9
wesleybeckner
closed
6 years ago
0
Convex
#8
wesleybeckner
closed
6 years ago
0
Multi qspr
#7
wesleybeckner
closed
6 years ago
1
removed serialization with pickle
#6
wesleybeckner
closed
6 years ago
0
add method to search outside convex hull of qspr training data
#5
wesleybeckner
closed
6 years ago
1
Seed random in unit tests
#4
wesleybeckner
closed
6 years ago
1
Iss2
#3
wesleybeckner
closed
6 years ago
0
Avoid using pickle
#2
dacb
closed
6 years ago
5
Added environment activation lines to setup instructions
#1
dacb
closed
6 years ago
3