Kevin M Jablonka
Kevin M Jablonka
i think there's no reason to re-invent the wheel. The Persson group did something nice, there is this new checklist in Nat Chem and I have a private draft that...
i think it is an important topic on which there are also other good resources, e.g., [Chip Huyen's book](https://huyenchip.com/mlops/) however, there are some notes one could give that are somewhat...
**Is your feature request related to a problem? Please describe.** In `cif`s (e.g., from the Cambridge Crystallographic Database) one sometimes finds symbols for common isotopes such as Tritium (`T`) or...
Checklist - [x] Title of this PR is meaningful: e.g. "Adding my_nifty_package", not "updated meta.yaml". - [x] License file is packaged (see [here](https://github.com/conda-forge/staged-recipes/blob/5eddbd7fc9d1502169089da06c3688d9759be978/recipes/example/meta.yaml#L64-L73) for an example). - [ ] Source...
Checklist - [x] Title of this PR is meaningful: e.g. "Adding my_nifty_package", not "updated meta.yaml". - [x] License file is packaged (see [here](https://github.com/conda-forge/staged-recipes/blob/5eddbd7fc9d1502169089da06c3688d9759be978/recipes/example/meta.yaml#L64-L73) for an example). - [x] Source is...
Using comet-ml 3.1.7 on OSX. The following snippet, with some fit method that returns a score ```python config = { "algorithm": "bayes", "parameters": { "learning_rate": { "type": "float", "min": 0.00,...
Checklist - [x] Title of this PR is meaningful: e.g. "Adding my_nifty_package", not "updated meta.yaml". - [x] License file is packaged (see [here](https://github.com/conda-forge/staged-recipes/blob/5eddbd7fc9d1502169089da06c3688d9759be978/recipes/example/meta.yaml#L64-L73) for an example). - [x] Source is...
first reported by Hyunsoo Park. `drop_na = True` drops a lot of materials, too many for a reasonable benchmark.
many structures in the MOF subset of the CSD are single metal MOFs. However, a lot of the promise of reticular chemistry relies on the SBUs (directionality and strong bonds...
- [X] RASPA for arm - [ ] zeopp for arm (https://github.com/conda-forge/zeopp-lsmo-feedstock/pull/4) - [x] moltda - [x] dionysus for arm (i made the for the migration, but it has not...