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BBB example for LIME #142

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@hgandhi2411 hgandhi2411 commented Nov 27, 2023

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hgandhi2411 and others added 30 commits May 7, 2022 19:25
@hgandhi2411
Groomed solubility notebook for docs website
a5787ac
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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
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Merge branch 'main' of https://github.com/ur-whitelab/exmol
dcacfdf
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Merge branch 'main' of https://github.com/ur-whitelab/exmol
5e19275
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Merge branch 'main' of https://github.com/ur-whitelab/exmol
f9176c7
@hgandhi2411
Merge branch 'main' of https://github.com/ur-whitelab/exmol
d9558a5
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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
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@whitead
Tweaked prompt
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@whitead
Updated notebook
0940717
@whitead
Added correlation direction
2b06865
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More work on prompt
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@whitead
Updated prompt for single vs multi molecules
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More prompt refinement
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Model changes
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Removed oai key dependency
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@whitead
Updated notebook experiments
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@hgandhi2411
Merge branch 'nle-lc' of https://github.com/ur-whitelab/exmol into nl…
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…e-lc
@whitead
Fixed old text generate code
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Addded OAI key
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merge with main
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@hgandhi2411
Merge branch 'nle-lc' of https://github.com/ur-whitelab/exmol into nl…
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…e-lc
@whitead
Added openai to dev requirements
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Added OAI Key and uncommented explains
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Adding BBB notebook
2de9cb5
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merge with main
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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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@hgandhi2411 @whitead @geemi725