I'm a research group leader in Germany (FSU Jena, Helmholtz Center for Polymers in Energy Applications) looking into how data can be used to expedite materials design and discovery. I've been developing tools for MOFs, but also generally applicable ML systems. For this, I'm also looking into ways to improve data capture and dissemination in experimental chemistry. For example, I've been collecting interesting datasets that we are now using to train a chemistry LLM, in the ChemNLP project, that I co-lead.
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I should be writing...
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awesome-chemistry-datasets
awesome-chemistry-datasets Publicoverview of datasets for ML in chemistry
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lamalab-org/pyepal
lamalab-org/pyepal PublicMultiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
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lamalab-org/mofdscribe
lamalab-org/mofdscribe PublicAn ecosystem for digital reticular chemistry
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2,124 contributions in the last year
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Activity overview
Contributed to
lamalab-org/chembench,
lamalab-org/matextract-book,
lamalab-org/chembench-paper
and 38 other
repositories
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Contribution activity
April 2025
Created 49 commits in 5 repositories
Created 1 repository
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kjappelbaum/SciencePostmortems
TypeScript
This contribution was made on Apr 6
Reviewed 5 pull requests in 3 repositories
lamalab-org/chembench
3 pull requests
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feat: added leaderboard submodule
This contribution was made on Apr 10
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feat: improve model class
This contribution was made on Apr 10
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move formating function to BasePrompter
This contribution was made on Apr 10
lamalab-org/toolminutes
1 pull request
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feat: add files for the paperbench article
This contribution was made on Apr 15
lamalab-org/PolyMetriX
1 pull request
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add polymerclass splitter and dataset for polymerclass
This contribution was made on Apr 15
Created an issue in lamalab-org/chembench that received 1 comment
typo in docs
Btw, I think here https://lamalab-org.github.io/chembench/getting_started/#step-1-implement-a-class-for-your-model :
def generate(self, prompts: Li…
1
comment
Opened 8 other issues in 3 repositories
kjappelbaum/SciencePostmortems
6
open
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check if creation of new categories works
This contribution was made on Apr 8
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alpha testers
This contribution was made on Apr 8
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subscription button ovelaps in case of small window width
This contribution was made on Apr 8
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use usernames and not job titles in posts
This contribution was made on Apr 8
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test subscription
This contribution was made on Apr 8
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style issues
This contribution was made on Apr 8
lamalab-org/irt-on-bench
1
closed
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docs could specify how the
data_path
has to be structuredThis contribution was made on Apr 15
kjappelbaum/kjappelbaum.github.io
1
open
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links not well visible
This contribution was made on Apr 11
27
contributions
in private repositories
Apr 1 – Apr 26