Loreon
Labs
Platform
Docs
Home
Ecosystems
Python
forcebalance
Systematic force field optimization.
Python
Emerging
GitHub
Stars
—
Forks
—
Contributors
8
Last push
61mo ago
Recent commits
Latest commits.
rtarget bugfix
6f1fff8
Trevor Gokey
61mo ago
add retries to remote target
1bbe3db
Trevor Gokey
61mo ago
don't keep xk in best on first iteration
1662dd2
Trevor Gokey
62mo ago
fix returned obj per component
2b2d21c
Trevor Gokey
62mo ago
support to use precomputed partial charges using mol.sdf.q in target
2242e3b
Trevor Gokey
62mo ago
bugfix to save best iteration
c7b82f9
Trevor Gokey
62mo ago
return derivatives
fca01f2
Trevor Gokey
65mo ago
add best chk save for first step; remove mintrust floor
1a4de32
Trevor Gokey
66mo ago
Top contributors
Builders behind this project.
leeping
872 commits
yudongqiu
176 commits
kmckiern
81 commits
jisraeli
74 commits
j-wags
60 commits
trevorgokey
16 commits
hyejang
16 commits
mattwthompson
4 commits