jacksonburns/astartes issues and pull requests

#178 - fix failing paper reproduction ci

Pull Request - State: closed - Opened by JacksonBurns 5 months ago

#177 - [FEATURE]: add a `Related Packages` section to the README

Issue - State: open - Opened by JacksonBurns 5 months ago - 1 comment
Labels: enhancement, good first issue

#176 - `astartes` v1.3.0

Pull Request - State: closed - Opened by JacksonBurns 6 months ago

#175 - [BUG]: ImperfectSplittingWarning rounding

Issue - State: closed - Opened by KnathanM 9 months ago - 2 comments
Labels: bug

#174 - Change `aimsim` to `aimsim_core` for PyPI to lean out dependencies

Pull Request - State: closed - Opened by JacksonBurns 12 months ago - 2 comments
Labels: PR Ready for Review

#173 - Fix Incorrectly Delayed Import in 1.2.0

Pull Request - State: closed - Opened by JacksonBurns 12 months ago - 1 comment
Labels: PR Ready for Review

#172 - Adding TargetValue and MolecularWeight Sampler

Pull Request - State: closed - Opened by JacksonBurns 12 months ago - 2 comments
Labels: PR Ready for Review

#171 - [DOCS]: Add an '`astartes` in the literature' Section to the README

Issue - State: closed - Opened by JacksonBurns about 1 year ago
Labels: documentation

#170 - Target property value

Pull Request - State: closed - Opened by kspieks about 1 year ago - 1 comment

#169 - Fix scaffold formatting

Pull Request - State: closed - Opened by kspieks about 1 year ago
Labels: PR Ready for Review

#168 - [FEATURE]: split by property value

Issue - State: closed - Opened by kevingreenman about 1 year ago - 1 comment
Labels: enhancement

#167 - [FEATURE]: split by atom presence/absence

Issue - State: open - Opened by kevingreenman about 1 year ago - 3 comments
Labels: enhancement

#166 - [FEATURE]: Optionally add sklearn's `TimeSeriesSplit`

Issue - State: closed - Opened by kspieks about 1 year ago - 3 comments
Labels: enhancement

#165 - Molecular Weight Sampler

Pull Request - State: closed - Opened by kspieks about 1 year ago - 4 comments
Labels: enhancement

#164 - Fix a bug with the definition of `max_shufflable_size`

Pull Request - State: closed - Opened by kspieks about 1 year ago - 2 comments
Labels: bug, PR Ready for Review

#163 - [QUESTION]: It appears that scaffold splits always return the same splits

Issue - State: closed - Opened by PatWalters about 1 year ago - 8 comments
Labels: question

#162 - add python 3.12 to ci, pyproject, readme - bump patch version 4 release

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: PR Ready for Review

#161 - update readme and cff with new JOSS citation

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: PR Ready for Review

#160 - Update Citation to JOSS Paper

Issue - State: closed - Opened by JacksonBurns over 1 year ago - 1 comment

#159 - add joss review status badge to readme

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: documentation, PR Ready for Review

#158 - Final Wrap-up Edits for pyOpenSci Zenodo Release

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: PR Ready for Review

#157 - bump version for patch release

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: PR Ready for Review

#156 - 3.12 support blocked by RDKit, tracking

Issue - State: closed - Opened by JacksonBurns over 1 year ago

#155 - PyOpenSci Review - Code Updates

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago - 2 comments
Labels: PR Ready for Review

#154 - PyOpenSci Review - Documentation Updates

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago - 1 comment

#153 - PyOpenSci Review

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago - 1 comment

#152 - added a `conda-forge` package

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago - 1 comment

#151 - Internal Improvements

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago - 1 comment
Labels: PR Ready for Review

#150 - Delete postBuild

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago

#149 - add readme line to explain how to use MDKS

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago - 2 comments
Labels: PR Ready for Review

#148 - patch fixes for the previous patch fixes (version `1.1.2`)

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: PR Ready for Review

#147 - pyOpenSci Initial Review Comments Fixup

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: PR Ready for Review

#146 - [FEATURE]: Szymanski Sampling

Issue - State: open - Opened by JacksonBurns over 1 year ago
Labels: enhancement

#145 - [FEATURE]: Split based on functional groups

Issue - State: open - Opened by kspieks over 1 year ago
Labels: enhancement

#144 - pyOpenSci Initial Review Cleanup

Issue - State: closed - Opened by JacksonBurns over 1 year ago - 2 comments
Labels: documentation

#143 - Pre-Submission Fixup for PyOpenSci

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: PR Ready for Review

#142 - Pre-Submission Checklist

Issue - State: closed - Opened by JacksonBurns over 1 year ago

#141 - Paper edits

Pull Request - State: closed - Opened by kspieks over 1 year ago - 1 comment

#140 - v1.1.1 patches

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: PR Ready for Review

#139 - [BUG]: `sklearn` v1.3.0 introduces backwards-incompatible changes in KMeans

Issue - State: closed - Opened by JacksonBurns over 1 year ago - 2 comments
Labels: bug

#138 - move tabulate to required packages

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago - 3 comments

#137 - [BUG]: `tabulate` should be in default requirements

Issue - State: closed - Opened by JacksonBurns over 1 year ago
Labels: bug

#136 - `astartes` v1.1.0 :tada:

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: PR Ready for Review

#134 - Implementing the MLM Sampler

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: enhancement

#133 - Add conda to the paper abstract

Pull Request - State: closed - Opened by kspieks over 1 year ago - 1 comment
Labels: PR Ready for Review

#132 - add a `conda` package

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: enhancement, PR Ready for Review

#131 - [FEATURE]: SWNW Sampler

Issue - State: closed - Opened by JacksonBurns over 1 year ago - 1 comment
Labels: enhancement

#130 - [FEATURE]: M-SPXY

Issue - State: closed - Opened by JacksonBurns over 1 year ago - 1 comment
Labels: enhancement

#129 - [FEATURE]: Mahalanobis Distance Kennard-Stone (MDKS) Sampler

Issue - State: closed - Opened by JacksonBurns over 1 year ago - 2 comments
Labels: enhancement

#128 - [FEATURE]: Morais-Lima-Martin (MLM) Sampler

Issue - State: closed - Opened by JacksonBurns over 1 year ago - 2 comments
Labels: enhancement

#127 - Support for Pandas Dataframe and Series

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago - 2 comments
Labels: enhancement, PR Ready for Review

#126 - Improve Performance of Kennard-Stone, SPXY Samplers

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago
Labels: enhancement, PR Ready for Review

#125 - [FEATURE]: Return pd.DataFrame if X is DataFrame after split

Issue - State: closed - Opened by pikakolendo02 over 1 year ago - 5 comments
Labels: enhancement

#124 - add support for X, y, and labels of type other than np.ndarray

Pull Request - State: closed - Opened by JacksonBurns over 1 year ago - 1 comment
Labels: bug, PR Ready for Review

#123 - [BUG]: train_test_split get KeyError when X is pd.DataFrame

Issue - State: closed - Opened by pikakolendo02 over 1 year ago - 6 comments
Labels: bug

#122 - Add function to obtain values for a table

Pull Request - State: closed - Opened by kspieks over 1 year ago - 3 comments
Labels: PR Ready for Review

#121 - Fix typo in RDB7 notebook

Pull Request - State: closed - Opened by kspieks over 1 year ago
Labels: PR Ready for Review

#120 - [FEATURE]: Spectral Clustering based on OptiSim Selection

Issue - State: closed - Opened by JacksonBurns over 1 year ago - 1 comment
Labels: enhancement

#119 - Paper edits

Pull Request - State: closed - Opened by kspieks almost 2 years ago - 1 comment
Labels: PR Ready for Review

#118 - [FEATURE]: Multi-Fidelity Sampling

Issue - State: open - Opened by JacksonBurns almost 2 years ago
Labels: enhancement

#117 - Bug fixes for v1.0

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: PR Ready for Review

#116 - [BUG]: Repository Configuration Issues

Issue - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: bug

#115 - [BUG]: Scaffold sampler inaccessible from `train_(val_)test_split_molecules`

Issue - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: bug

#114 - `astartes` Demonstration Notebook for MLPDS 2023

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: PR Ready for Review

#113 - remove kennard_stone from requirements

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: PR Ready for Review

#112 - Fix KennardStone Sampler

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: PR Ready for Review

#111 - Update paper

Pull Request - State: closed - Opened by kspieks almost 2 years ago - 2 comments
Labels: PR Ready for Review

#110 - Update notebooks

Pull Request - State: closed - Opened by kspieks almost 2 years ago - 1 comment
Labels: PR Ready for Review

#109 - `astartes` v1.0.0 Release

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago

#108 - Small Bugfixes for v1.0.0

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago - 1 comment
Labels: PR Ready for Review

#107 - Backend Changes for Better Clarity and Maintainability

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago - 1 comment
Labels: PR Ready for Review

#106 - Fix scaffold splits

Pull Request - State: closed - Opened by kspieks almost 2 years ago
Labels: PR Ready for Review

#105 - Double-Assignment Bug in `main.py` Leads to Points being Left Out

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: PR Ready for Review

#104 - New Example Notebook: Quantitative and Visual Comparisons of Different Sampling Algorithms with Fast Food

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago - 3 comments
Labels: documentation, enhancement, PR Ready for Review

#103 - Minor paper edits

Pull Request - State: closed - Opened by kspieks almost 2 years ago
Labels: PR Ready for Review

#102 - Paper edits3

Pull Request - State: closed - Opened by kspieks almost 2 years ago
Labels: PR Ready for Review

#101 - Time splits

Pull Request - State: closed - Opened by kspieks almost 2 years ago - 2 comments
Labels: documentation, enhancement, PR Ready for Review

#100 - Paper edits

Pull Request - State: closed - Opened by kspieks almost 2 years ago - 1 comment
Labels: PR Ready for Review

#99 - Ensuring Reproducibility in the Paper and Regular Use

Pull Request - State: closed - Opened by kspieks almost 2 years ago - 3 comments
Labels: PR Ready for Review

#97 - `astartes` v1.0 Release Candidate 1

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: PR Ready for Review

#96 - Add support for passing RDKit Molecules directly

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: enhancement, PR Ready for Review

#95 - Repo meta fixes

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: PR Ready for Review

#94 - Implement `random_state` effect in extrapolative cluster assignment

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: enhancement, PR Ready for Review

#93 - Change behavior of `return_indices`

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago - 2 comments
Labels: PR Ready for Review

#92 - Update Project Description and Supported Python Subversions in `pyproject.toml` and `README.md`

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: PR Ready for Review

#91 - [QUESTION]: Way to get the inputs back out from train_test_split_molecules?

Issue - State: closed - Opened by ericchen384 almost 2 years ago - 2 comments
Labels: question

#90 - Update description

Pull Request - State: closed - Opened by kspieks almost 2 years ago
Labels: documentation, PR Ready for Review

#89 - Set random seed

Pull Request - State: closed - Opened by kspieks almost 2 years ago
Labels: enhancement, PR Ready for Review

#88 - Paper edits

Pull Request - State: closed - Opened by kspieks almost 2 years ago

#86 - [BUG]: Outdated short description in `pyproject.toml`

Issue - State: closed - Opened by JacksonBurns almost 2 years ago - 1 comment
Labels: bug

#85 - [BUG]: Error instantiating train_test_split_molecules()

Issue - State: closed - Opened by ericchen384 almost 2 years ago - 1 comment
Labels: bug

#84 - [FEATURE]: Put in rdkit objects directly

Issue - State: closed - Opened by ericchen384 almost 2 years ago - 3 comments
Labels: enhancement

#83 - Journal of Open Source Software Submission

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago

#82 - fix issue with missing packages, bump beta version

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago

#81 - [BUG]: from astartes import train_test_split: "ModuleNotFoundError: No module named 'astartes.samplers'

Issue - State: closed - Opened by ericchen384 almost 2 years ago - 1 comment
Labels: bug

#80 - [FEATURE]: Add some randomness to split assignments of clusters

Issue - State: closed - Opened by JacksonBurns almost 2 years ago
Labels: enhancement

#77 - Initial beta release

Pull Request - State: closed - Opened by JacksonBurns almost 2 years ago

#76 - [FEATURE]: Set a `DEFAULT_RANDOM_SEED` in `main.py`

Issue - State: closed - Opened by JacksonBurns almost 2 years ago - 1 comment
Labels: enhancement

#75 - Allow arguments for KMeans to be accessible to users

Pull Request - State: closed - Opened by kspieks almost 2 years ago - 3 comments
Labels: enhancement, PR Ready for Review

#74 - Allow users to access the power hyperparameter for DBSCAN

Pull Request - State: closed - Opened by kspieks almost 2 years ago
Labels: enhancement, PR Ready for Review

GitHub / jacksonburns/astartes issues and pull requests