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
Accelerator
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
Type
/
to 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 }}
Uh oh!
There was an error while loading.
Please reload this page
.
Becksteinlab
/
basicrta
Public
Notifications
You must be signed in to change notification settings
Fork
2
Star
1
Code
Issues
6
Pull requests
1
Actions
Projects
Security and quality
0
Insights
Additional navigation options
Code
Issues
Pull requests
Actions
Projects
Security and quality
Insights
Add test trajectories
- #45
#45
Open
rjoshi44
wants to merge 5 commits into
main
Becksteinlab/basicrta:main
from
add-test-trajectories
Becksteinlab/basicrta:add-test-trajectories
Copy head branch name to clipboard
Conversation
Commits
5
(5)
Checks
Files changed
Open
Add test trajectories
#45
rjoshi44
wants to merge 5 commits into
main
Becksteinlab/basicrta:main
from
add-test-trajectories
Becksteinlab/basicrta:add-test-trajectories
Copy head branch name to clipboard
Commits
Commits on Jul 29, 2025
Add 3 test trajectories with same protein and different number of same lipid type
rjoshi44
committed
f4699e5
View commit details
Copy full SHA for f4699e5
Browse repository at this point
Commits on Jul 30, 2025
3 test trajectories with same protein and different lipid number with same lipid type
Show description for 0c2b647
rjoshi44
committed
0c2b647
View commit details
Copy full SHA for 0c2b647
Browse repository at this point
Commits on Sep 12, 2025
add PAPE datafiles
rjoshi44
committed
9b36385
View commit details
Copy full SHA for 9b36385
Browse repository at this point
Commits on Sep 18, 2025
removed subdirectories and kept all the xtc and pdb files in tests/data/prestin
Show description for f058cf0
rjoshi44
committed
f058cf0
View commit details
Copy full SHA for f058cf0
Browse repository at this point
Commits on Dec 3, 2025
Add trajectory files
rjoshi44
committed
b7e782f
View commit details
Copy full SHA for b7e782f
Browse repository at this point
You can’t perform that action at this time.
