autodesk/molecular-simulation-tools issues and pull requests

#98 - VDE End-to-End with Molviewer

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#97 - Display "Views" via Google Analytics

Issue - State: open - Opened by justinmc almost 8 years ago - 1 comment

#96 - Workflow1 first step.

Pull Request - State: closed - Opened by dionjwa almost 8 years ago

#95 - Run NVT calculation on object. Apply SHAKE to all bonds with hydrogen atoms. Get Snapshots.

Issue - State: closed - Opened by dane1122 almost 8 years ago

#94 - Calculate energy, forces on PyLAMMPS object

Issue - State: closed - Opened by dane1122 almost 8 years ago

#93 - Turn molecule with ff info into a LAMMPS data file -> PyLAMMPS object

Issue - State: closed - Opened by dane1122 almost 8 years ago

#92 - Database driven homepage

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 3 comments

#91 - revert (for now) logic to find package.json and VERSION files

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#90 - normalized how package.json and VERSION files are found across apps

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#89 - Use the public CCC version for now

Pull Request - State: closed - Opened by dionjwa almost 8 years ago - 1 comment

#88 - Fix VERSION file location and how it is added

Pull Request - State: closed - Opened by dionjwa almost 8 years ago

#87 - buildfix: fixed deployment failure due to new directory for version.js

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#86 - Fix jenkins build round 2

Pull Request - State: closed - Opened by dionjwa almost 8 years ago

#85 - FIX: jenkins build

Pull Request - State: closed - Opened by dionjwa almost 8 years ago - 1 comment

#84 - Docker image fixes

Pull Request - State: closed - Opened by dionjwa almost 8 years ago - 1 comment

#83 - Test Endpoint

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 5 comments

#82 - Input pdb processing

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#81 - Publicly release LAMMPS compiled to WebAssembly

Issue - State: closed - Opened by avirshup almost 8 years ago - 1 comment

#80 - (WIP) Molviewer

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment
Labels: do not merge

#79 - Benchmark WebAssembly / LAMMPS performance

Issue - State: closed - Opened by avirshup almost 8 years ago - 1 comment

#78 - MM Minimization workflow running as a standalone script

Issue - State: closed - Opened by avirshup almost 8 years ago

#77 - Website content

Pull Request - State: closed - Opened by avirshup almost 8 years ago - 1 comment
Labels: do not merge

#76 - Frontend UX punchlist

Issue - State: closed - Opened by avirshup almost 8 years ago - 6 comments

#75 - fix environment value default in jenkins-config.yml

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#74 - PDB By Id

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 3 comments

#73 - Test Route

Issue - State: closed - Opened by justinmc almost 8 years ago - 3 comments
Labels: devops

#72 - Integrate MV - or not

Issue - State: closed - Opened by avirshup almost 8 years ago

#71 - Create text/content

Issue - State: closed - Opened by avirshup almost 8 years ago - 2 comments

#70 - Data transfer formats for workflow / backend / frontend

Issue - State: closed - Opened by avirshup almost 8 years ago

#69 - CCC uptime / availability story (use of shared cache)

Issue - State: closed - Opened by avirshup almost 8 years ago - 4 comments
Labels: devops, Story

#68 - Finalize docker image runtime location

Issue - State: closed - Opened by avirshup almost 8 years ago - 2 comments
Labels: devops

#67 - Server logging

Issue - State: closed - Opened by avirshup almost 8 years ago - 2 comments
Labels: devops

#66 - QM/MM workflow complete

Issue - State: open - Opened by avirshup almost 8 years ago
Labels: Story

#65 - MM Workflow integrated into app

Issue - State: closed - Opened by avirshup almost 8 years ago - 1 comment

#64 - Prototype app in Prod

Issue - State: closed - Opened by avirshup almost 8 years ago - 1 comment
Labels: devops

#63 - Status pages and results UI

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 2 comments

#62 - MVP Workflow Results UI

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#61 - Ligand Selection

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#60 - Morph

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#59 - Emails

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 2 comments

#58 - Number the steps!

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#57 - Seed Data in Production

Issue - State: closed - Opened by justinmc almost 8 years ago - 4 comments

#56 - Get jenkins builds to work!

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#55 - 404

Issue - State: closed - Opened by justinmc almost 8 years ago - 4 comments
Labels: UI

#54 - Homepage

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#53 - Use BioNano MolViewer, not 3dmol

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#52 - Emails

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#51 - Number the steps

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#50 - Homepage

Issue - State: closed - Opened by justinmc almost 8 years ago - 2 comments

#49 - Cancel

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#48 - Update blue error and running pages

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#47 - Error starting docker inside docker

Issue - State: closed - Opened by justinmc almost 8 years ago

#46 - Real units on Results pane

Issue - State: closed - Opened by justinmc almost 8 years ago - 2 comments

#45 - revert s3-artifacts entry back to single string format

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#44 - fixed location of VERSION file and changed S3 entry to array format

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#43 - App Runs Via Docker

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#42 - fix compose and jenkins-config files for aws deployment

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#41 - Styling

Pull Request - State: closed - Opened by justinmc almost 8 years ago

#40 - add conditional handling of VERSION file

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#39 - Update to deploy files

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#38 - fixed cmd start param for app. also fixed relative path to VERSION file

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#37 - Connect Front/Backends

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#36 - Added version.js for /version route and made workflow server env var

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#35 - (WIP) workflow.js linter fixes

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment
Labels: do not merge

#34 - Linting and Compliance

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#33 - Working docker computes and routes

Pull Request - State: closed - Opened by dionjwa almost 8 years ago - 2 comments

#32 - Initial files for jenkins build and aws deploy

Pull Request - State: closed - Opened by PeterRJones almost 8 years ago

#31 - Error and Running Pages

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#30 - (WIP) Server and Frontend Connection Work

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 2 comments

#29 - Results Pane

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#28 - Errored Out Run UI

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment
Labels: UI

#27 - Canceled Job UI

Issue - State: closed - Opened by justinmc almost 8 years ago - 2 comments
Labels: UI

#26 - Thank You Page UI

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment
Labels: UI

#25 - Thank you page

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#24 - Load PDB Status Pane UI

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment
Labels: UI

#23 - About Page

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment

#22 - Share Dropdown UI

Issue - State: closed - Opened by justinmc almost 8 years ago - 3 comments
Labels: UI

#21 - Loading UI

Issue - State: closed - Opened by justinmc almost 8 years ago - 1 comment
Labels: UI

#20 - Server building and working

Pull Request - State: closed - Opened by dionjwa almost 8 years ago

#19 - Vertical detatchment energy workflow

Pull Request - State: closed - Opened by avirshup almost 8 years ago - 1 comment
Labels: do not merge

#18 - Can submit jobs from frontend and view results when done

Issue - State: closed - Opened by avirshup almost 8 years ago

#17 - Get remote deployment working

Pull Request - State: closed - Opened by dionjwa almost 8 years ago

#16 - New Design

Pull Request - State: closed - Opened by justinmc almost 8 years ago - 2 comments

#15 - (WIP) Update molecule-3d by parsing pdb

Pull Request - State: closed - Opened by justinmc about 8 years ago - 2 comments
Labels: do not merge

#14 - #11 Doesn't work

Issue - State: closed - Opened by dionjwa about 8 years ago - 2 comments

#13 - Uploads

Pull Request - State: closed - Opened by justinmc about 8 years ago - 5 comments

#12 - Wires up dummy API for client.

Pull Request - State: closed - Opened by dionjwa about 8 years ago - 1 comment

#11 - Workflows

Pull Request - State: closed - Opened by avirshup about 8 years ago - 1 comment

#10 - Deployed app for vertical detachment energy (VDE)

Issue - State: closed - Opened by avirshup about 8 years ago

#9 - Target workflow specs

Issue - State: closed - Opened by avirshup about 8 years ago

#8 - Finish planning backend architecture for MVP

Issue - State: closed - Opened by avirshup about 8 years ago

#7 - Frontend app complete and can submit jobs

Issue - State: closed - Opened by avirshup about 8 years ago - 2 comments

#6 - Status / progress monitoring API

Issue - State: open - Opened by avirshup about 8 years ago - 2 comments

#5 - Preliminary, fast workflow ready for testing

Issue - State: closed - Opened by avirshup about 8 years ago

#4 - Scalable workflow manager running, can execute target workflow

Issue - State: closed - Opened by avirshup about 8 years ago - 2 comments

#3 - Skeleton app deployed to AWS

Issue - State: closed - Opened by avirshup about 8 years ago

#2 - Dockerized single-machine workflow app

Issue - State: closed - Opened by avirshup about 8 years ago

#1 - Run CWL workflows in CCC

Issue - State: closed - Opened by avirshup about 8 years ago - 1 comment

GitHub / autodesk/molecular-simulation-tools issues and pull requests