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
.
cdmbi
/
dye
Public
forked from
sawsimeon/dye
Notifications
You must be signed in to change notification settings
Fork
0
Star
0
Code
Pull requests
0
Actions
Projects
Wiki
Security and quality
0
Insights
Additional navigation options
Code
Pull requests
Actions
Projects
Wiki
Security and quality
Insights
master
Branches
Tags
Go to file
Code
Open more actions menu
Folders and files
Name
Name
Last commit message
Last commit date
Latest commit
History
7 Commits
7 Commits
importance_plot
importance_plot
.Rhistory
.Rhistory
AtomPairs2DFingerprintCount.csv
AtomPairs2DFingerprintCount.csv
AtomPairs2DFingerprintCount.csv.log
AtomPairs2DFingerprintCount.csv.log
AtomPairs2DFingerprinter.csv
AtomPairs2DFingerprinter.csv
AtomPairs2DFingerprinter.csv.log
AtomPairs2DFingerprinter.csv.log
AtomPairs2D_fingerPrintCount.pdf
AtomPairs2D_fingerPrintCount.pdf
AtomPairs2D_fingerPrinter.pdf
AtomPairs2D_fingerPrinter.pdf
Estate_FingerPrinter.pdf
Estate_FingerPrinter.pdf
Extended_finterPrinter.pdf
Extended_finterPrinter.pdf
FingerPrinter.pdf
FingerPrinter.pdf
GraphOnly_FingerPrinter.pdf
GraphOnly_FingerPrinter.pdf
KlekotaRothFingerprintCount.csv
KlekotaRothFingerprintCount.csv
KlekotaRothFingerprintCount.csv.log
KlekotaRothFingerprintCount.csv.log
KlekotaRothFingerprinter.csv
KlekotaRothFingerprinter.csv
KlekotaRothFingerprinter.csv.log
KlekotaRothFingerprinter.csv.log
KlekotaRoth_FingerPrinter.pdf
KlekotaRoth_FingerPrinter.pdf
KlekotaRoth_FingerprintCount.pdf
KlekotaRoth_FingerprintCount.pdf
MACCS_FingerPrinter.pdf
MACCS_FingerPrinter.pdf
MACCS_finger_printer.csv
MACCS_finger_printer.csv
MACCS_finger_printer.csv.log
MACCS_finger_printer.csv.log
Pubchem_FingerPrinter.pdf
Pubchem_FingerPrinter.pdf
Pubchem_finger_printer.csv
Pubchem_finger_printer.csv
Pubchem_finger_printer.csv.log
Pubchem_finger_printer.csv.log
Substructure_fingerPrintCount.pdf
Substructure_fingerPrintCount.pdf
Substructure_fingerPrinter.pdf
Substructure_fingerPrinter.pdf
dragon_data.xlsx
dragon_data.xlsx
dye.smi
dye.smi
estate_fingerprint.csv
estate_fingerprint.csv
estate_fingerprint.csv.log
estate_fingerprint.csv.log
extended_finger_printer.csv
extended_finger_printer.csv
extended_finger_printer.csv.log
extended_finger_printer.csv.log
finger_printer.csv
finger_printer.csv
finger_printer.csv.log
finger_printer.csv.log
graph_only_fingerprint.csv
graph_only_fingerprint.csv
graph_only_fingerprint.csv.log
graph_only_fingerprint.csv.log
importance_plot.zip
importance_plot.zip
script.R
script.R
substructure_fingerprint.csv
substructure_fingerprint.csv
substructure_fingerprint.csv.log
substructure_fingerprint.csv.log
substructure_fingerprint_count.csv
substructure_fingerprint_count.csv
substructure_fingerprint_count.csv.log
substructure_fingerprint_count.csv.log
View all files
About
small QSAR project
Activity
Custom properties
Stars
0
stars
Watchers
1
watching
Forks
0
forks
Report repository
Releases
Packages
Contributors
Languages
You can’t perform that action at this time.