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BBB example for LIME #142

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BBB example for LIME #142

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hgandhi2411
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hgandhi2411 and others added 30 commits May 7, 2022 19:25
@hgandhi2411
Groomed solubility notebook for docs website
a5787ac
@hgandhi2411
Merge with origin main
92c3a61
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
1449bbd
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
b6440e0
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
51e830a
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
dcacfdf
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
5e19275
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
f9176c7
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
d9558a5
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
9d12551
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
835f5a8
@whitead
Added langchain and improve NLE
9467f57
@whitead
Tweaked prompt
7ccd2a1
@whitead
Updated notebook
0940717
@whitead
Added correlation direction
2b06865
@whitead
More work on prompt
1131b67
@whitead
Updated prompt for single vs multi molecules
e75480b
@whitead
More prompt refinement
3a8c20f
@whitead
Model changes
92f4203
@whitead
Removed oai key dependency
1a37f5b
@whitead
Updated notebook experiments
c321469
@hgandhi2411
Merge branch 'nle-lc' of https://github.com/ur-whitelab/exmol into nl…
3338de8 
…e-lc
@whitead
Fixed old text generate code
27b775c
@whitead
Addded OAI key
174cd59
@hgandhi2411
merge with main
7b552e5
@hgandhi2411
Merge branch 'nle-lc' of https://github.com/ur-whitelab/exmol into nl…
86fbfb7 
…e-lc
@whitead
Added openai to dev requirements
3b55017
@whitead
Added OAI Key and uncommented explains
6e83594
@hgandhi2411
Adding BBB notebook
2de9cb5
@hgandhi2411
merge with main
218883b
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hgandhi2411 commented Jun 2, 2024 •
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Commit 2ec0797 addresses issue #136 - which is caused due to completely random chemical space generation on each execution. Low chem space similarity --> different ECFP fingerprints showing up as important.

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3 participants
@hgandhi2411 @whitead @geemi725