Skip to content
Navigation Menu
Sign in
Appearance settings
Platform
AI CODE CREATION
GitHub Copilot
Write better code with AI
GitHub Copilot app
Direct agents from issue to merge
MCP Registry
Integrate external tools
DEVELOPER WORKFLOWS
Actions
Automate any workflow
Codespaces
Instant dev environments
Issues
Plan and track work
Code Review
Manage code changes
Code Quality
Enforce quality at merge
APPLICATION SECURITY
GitHub Advanced Security
Find and fix vulnerabilities
Code security
Secure your code as you build
Secret protection
Stop leaks before they start
EXPLORE
Why GitHub
Documentation
Blog
Changelog
Marketplace
View all features
Solutions
BY COMPANY SIZE
Enterprises
Small and medium teams
Startups
Nonprofits
BY USE CASE
App Modernization
DevSecOps
DevOps
CI/CD
View all use cases
BY INDUSTRY
Healthcare
Financial services
Manufacturing
Government
View all industries
View all solutions
Resources
EXPLORE BY TOPIC
AI
Software Development
DevOps
Security
View all topics
EXPLORE BY TYPE
Customer stories
Events & webinars
Ebooks & reports
Business insights
GitHub Skills
SUPPORT & SERVICES
Documentation
Customer support
Community forum
Trust center
Partners
View all resources
Open Source
COMMUNITY
GitHub Sponsors
Fund open source developers
PROGRAMS
Security Lab
Maintainer Community
GitHub Stars
Archive Program
REPOSITORIES
Topics
Trending
Collections
Enterprise
ENTERPRISE SOLUTIONS
Enterprise platform
AI-powered developer platform
AVAILABLE ADD-ONS
GitHub Advanced Security
Enterprise-grade security features
Copilot for Business
Enterprise-grade AI features
Premium Support
Enterprise-grade 24/7 support
Pricing
Search
/
Sign in
Sign up
Appearance settings
You signed in with another tab or window.
Reload
to refresh your session.
You signed out in another tab or window.
Reload
to refresh your session.
You switched accounts on another tab or window.
Reload
to refresh your session.
Dismiss alert
{{ message }}
Gallicchio-Lab
/
AToM-OpenMM
Public
Notifications
You must be signed in to change notification settings
Fork
44
Star
175
Code
Issues
1
Pull requests
3
Discussions
Actions
Projects
Wiki
Security and quality
0
Insights
Additional navigation options
Code
Issues
Pull requests
Discussions
Actions
Projects
Wiki
Security and quality
Insights
Actions: Gallicchio-Lab/AToM-OpenMM
Actions
All workflows
Workflows
CI/CD
CI/CD
Copilot cloud agent
Copilot cloud agent
Dependency Graph
Dependency Graph
Docs
Docs
pages-build-deployment
pages-build-deployment
Publish
Publish
Test
Test
Show more workflows...
Management
Caches
Deployments
All workflows
All workflows
Actions
Loading...
Loading
Sorry, something went wrong.
Uh oh!
There was an error while loading.
Please reload this page
.
will be ignored since log searching is not yet available
Showing runs from all workflows
will be ignored since log searching is not yet available
79 workflow runs
79 workflow runs
Workflow
Filter by Workflow
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching workflows.
Event
Filter by Event
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching events.
Status
Filter by Status
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching statuses.
Branch
Filter by Branch
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching branches.
Actor
Filter by Actor
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching users.
Frame-based coordinate transformations
Docs
#19:
Pull request
#140
opened by
egallicc
35s
egallicc:frame-displacements
egallicc:frame-displacements
35s
View #140
View workflow file
CI/CD
CI/CD
#62:
by
egallicc
26m 47s
master
master
26m 47s
View workflow file
Docs
Docs
#18:
by
egallicc
1m 9s
master
master
1m 9s
View workflow file
Upgrade CI to Python 3.12
Docs
#17:
Pull request
#139
opened by
Copilot
AI
39s
copilot/upgrade-ci-to-python-3-12
copilot/upgrade-ci-to-python-3-12
39s
View #139
View workflow file
Upgrade CI to Python 3.12
CI/CD
#61:
Commit
2eaa8d4
pushed by
Copilot
AI
21m 12s
copilot/upgrade-ci-to-python-3-12
copilot/upgrade-ci-to-python-3-12
21m 12s
View #139
View workflow file
Running Copilot cloud agent
Copilot cloud agent
#1:
by
Copilot
AI
2m 19s
copilot/upgrade-ci-to-python-3-12
copilot/upgrade-ci-to-python-3-12
2m 19s
Fix bug in massage_keywords() to stop overriding time-step for production
Docs
#16:
Pull request
#138
opened by
rajatkrpal
36s
zrestr
zrestr
36s
View #138
View workflow file
Fix bug in massage_keywords() to stop overriding time-step for produc…
CI/CD
#60:
Commit
fdb70f3
pushed by
rajatkrpal
1m 53s
zrestr
zrestr
1m 53s
View #138
View workflow file
Created using Colab
CI/CD
#59:
Commit
f210389
pushed by
egallicc
1m 43s
master
master
1m 43s
View workflow file
Created using Colab
Docs
#15:
Commit
f210389
pushed by
egallicc
36s
master
master
36s
View workflow file
Created using Colab
CI/CD
#58:
Commit
9ffac36
pushed by
egallicc
2m 1s
master
master
2m 1s
View workflow file
Created using Colab
Docs
#14:
Commit
9ffac36
pushed by
egallicc
31s
master
master
31s
View workflow file
Created using Colab
CI/CD
#57:
Commit
27a5493
pushed by
egallicc
1m 45s
master
master
1m 45s
View workflow file
Created using Colab
Docs
#13:
Commit
27a5493
pushed by
egallicc
29s
master
master
29s
View workflow file
Created using Colab
CI/CD
#56:
Commit
1ef518d
pushed by
egallicc
1m 47s
master
master
1m 47s
View workflow file
Created using Colab
Docs
#12:
Commit
1ef518d
pushed by
egallicc
27s
master
master
27s
View workflow file
Created using Colab
CI/CD
#55:
Commit
023cc5c
pushed by
egallicc
1m 55s
master
master
1m 55s
View workflow file
Created using Colab
Docs
#11:
Commit
023cc5c
pushed by
egallicc
22s
master
master
22s
View workflow file
Merge pull request #137 from egallicc/replica-diffusion
CI/CD
#54:
Commit
e943398
pushed by
egallicc
2m 10s
master
master
2m 10s
View workflow file
Merge pull request #137 from egallicc/replica-diffusion
Docs
#10:
Commit
e943398
pushed by
egallicc
42s
master
master
42s
View workflow file
Replica diffusion plots
Docs
#9:
Pull request
#137
opened by
egallicc
28s
egallicc:replica-diffusion
egallicc:replica-diffusion
28s
View #137
View workflow file
Update README.md
CI/CD
#53:
Commit
9e26c5a
pushed by
egallicc
26m 36s
v8.5.0
v8.5.0
26m 36s
View workflow file
Update README.md
CI/CD
#52:
Commit
9e26c5a
pushed by
egallicc
24m 59s
master
master
24m 59s
View workflow file
Update README.md
Docs
#8:
Commit
9e26c5a
pushed by
egallicc
36s
master
master
36s
View workflow file
Graph Update: pip in /. #1399735390
Dependency Graph
#1:
by
dependabot
Bot
46s
master
master
46s
Previous
1
2
3
4
Next
You can’t perform that action at this time.