Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / cmelab/grits issues and pull requests

#51 - Add Orientations to GRiTS

Pull Request - State: open - Opened by NoahMontrose over 1 year ago
Labels: WIP

#48 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: open - Opened by pre-commit-ci[bot] almost 2 years ago

#47 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 years ago

#46 - Populate `snapshot.bonds.types` and `snapshot.bonds.typeid`

Pull Request - State: closed - Opened by chrisjonesBSU over 2 years ago - 3 comments

#45 - CG_System not completely populating bonding informaiton in snapshots

Issue - State: open - Opened by chrisjonesBSU over 2 years ago - 3 comments

#44 - Add simple finegraining for UA systems

Pull Request - State: open - Opened by jennyfothergill over 2 years ago - 1 comment

#43 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago

#42 - Add version tracking through git

Pull Request - State: closed - Opened by jennyfothergill over 2 years ago - 1 comment

#41 - Idea: non chemistry based grammar

Issue - State: open - Opened by jennyfothergill almost 3 years ago

#40 - Fix visualize method

Issue - State: open - Opened by jennyfothergill almost 3 years ago
Labels: bug

#39 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 3 years ago

#38 - Update build action to push to quay

Pull Request - State: closed - Opened by jennyfothergill almost 3 years ago

#37 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 3 years ago

#36 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 3 years ago

#35 - Update docs

Pull Request - State: closed - Opened by jennyfothergill about 3 years ago

#34 - Update workflows

Pull Request - State: closed - Opened by jennyfothergill about 3 years ago - 1 comment

#33 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 3 years ago

#32 - Set mass of CG_Compound and CG_System

Pull Request - State: closed - Opened by jennyfothergill about 3 years ago - 1 comment

#31 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 3 years ago

#30 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 3 years ago

#29 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 3 years ago

#28 - Finegraining united atom to all-atom

Issue - State: open - Opened by jennyfothergill about 3 years ago - 3 comments

#27 - Add option to infer implicit hydrogens and add them

Pull Request - State: closed - Opened by jennyfothergill about 3 years ago - 1 comment

#26 - Add bead mass

Issue - State: closed - Opened by jennyfothergill about 3 years ago

#25 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#24 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#23 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#22 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#21 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#20 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#19 - Add CG_System class

Pull Request - State: closed - Opened by jennyfothergill over 3 years ago - 2 comments

#18 - CGing approach using Freud clusters

Pull Request - State: closed - Opened by chrisjonesBSU over 3 years ago - 3 comments
Labels: WIP

#17 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#16 - speed up and scale up!

Issue - State: closed - Opened by jennyfothergill over 3 years ago - 2 comments

#15 - Simulation example

Issue - State: closed - Opened by jennyfothergill over 3 years ago - 1 comment

#14 - Save mapping and init from mapping

Pull Request - State: closed - Opened by jennyfothergill over 3 years ago - 2 comments

#13 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#12 - Add a mapping save and load from mapping functions

Issue - State: closed - Opened by jennyfothergill over 3 years ago - 1 comment

#10 - add rtd build

Pull Request - State: closed - Opened by jennyfothergill over 3 years ago - 2 comments

#9 - Update backmapping

Pull Request - State: closed - Opened by jennyfothergill over 3 years ago - 2 comments

#8 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#7 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 3 years ago

#6 - Improve the mapping operator

Issue - State: closed - Opened by jennyfothergill over 3 years ago - 1 comment

#5 - switch from openbabel to rdkit

Issue - State: closed - Opened by jennyfothergill over 3 years ago - 2 comments

#4 - Add tests

Pull Request - State: closed - Opened by jennyfothergill over 3 years ago - 3 comments

#3 - Restructure repo and add testing framework

Pull Request - State: closed - Opened by jennyfothergill over 3 years ago

#2 - clean up repo

Issue - State: closed - Opened by jennyfothergill over 3 years ago - 1 comment

#1 - Add CI/tests

Issue - State: closed - Opened by jennyfothergill over 3 years ago