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 }}
liugangcode
/
torch-molecule
Public
Notifications
You must be signed in to change notification settings
Fork
42
Star
330
Code
Issues
2
Pull requests
4
Actions
Projects
Security and quality
0
Insights
Additional navigation options
Code
Issues
Pull requests
Actions
Projects
Security and quality
Insights
Add: A Hugging Face pretrained molecular generator+ train_test_split implementation
- #22
#22
Open
m21hm9
wants to merge 5 commits into
liugangcode:main
liugangcode/torch-molecule:main
from
m21hm9:feat/generation-model
m21hm9/torch-molecule:feat/generation-model
Copy head branch name to clipboard
Conversation
Commits
5
(5)
Checks
Files changed
Open
Add: A Hugging Face pretrained molecular generator+ train_test_split implementation
#22
m21hm9
wants to merge 5 commits into
liugangcode:main
liugangcode/torch-molecule:main
from
m21hm9:feat/generation-model
m21hm9/torch-molecule:feat/generation-model
Copy head branch name to clipboard
Commits
Commits on Sep 9, 2026
Add a Hugging Face pretrained molecular generator with NovoMolGen, GP-MoLFormer, MolGen, and Molexar support.
m21hm9
committed
404cce9
View commit details
Copy full SHA for 404cce9
Browse repository at this point
Commits on Sep 11, 2026
Add a document hub models in the README and replace GP-MoLFormer with SAFE-GPT due to the transformers incompatibility.
m21hm9
committed
b2d2644
View commit details
Copy full SHA for b2d2644
Browse repository at this point
Commits on Sep 18, 2026
Add: SMILESDataset train_test_split with Random, Scaffold, Butina, and Size splits
m21hm9
committed
abcb688
View commit details
Copy full SHA for abcb688
Browse repository at this point
Fix: Causal LM scaffolds using max_new_tokens and add pretrained_{model} generator tests
m21hm9
committed
f23497d
View commit details
Copy full SHA for f23497d
Browse repository at this point
Commits on Sep 21, 2026
fix: removed personal notes
m21hm9
committed
63fe00e
View commit details
Copy full SHA for 63fe00e
Browse repository at this point
You can’t perform that action at this time.
