Q20110911D's repositories
RxnScribe
A Sequence Generation Model for Reaction Diagram Parsing
Verdvana.github.io
Verdvana‘s Blog
geckodriver
WebDriver for Firefox
fancyss_history_package
科学上网插件的离线安装包储存在这里
rxn4chemistry
Python wrapper for the IBM RXN for Chemistry API
knime-node-collection
KNIME feature for all 3D-e-Chem nodes
chemprop
Message Passing Neural Networks for Molecule Property Prediction
fragment_based_retrosynthesis
Program and data for fragment-based retrosynthesis planning
AutoGL
An autoML framework & toolkit for machine learning on graphs.
descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
Deep-Drug-Coder
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
guacamol_baselines
Baselines models for GuacaMol benchmarks
Smiles-GEN
GEN: Highly Efficient SMILES Explorer Using Autodidactic Generative Examination Networks
pychem
Various python script about cheminformatics.
Python
All Algorithms implemented in Python
retro_star
Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search
coding-problems
Solutions for various coding/algorithmic problems and many useful resources for learning algorithms and data structures
Python-programming-exercises
100+ Python challenging programming exercises
learn-python3
Jupyter notebooks for teaching/learning Python 3
python_reference
Useful functions, tutorials, and other Python-related things
rdkit_summary
rdkit总结与实践
learn-python
📚 Playground and cheatsheet for learning Python. Collection of Python scripts that are split by topics and contain code examples with explanations.
prop_gen
A novel hybrid method for generating molecules with desired property scores.
Python-Knowledge-Handbook
Python Knowledge Handbook by Python数据之道， website： http://liyangbit.com/
SailVina
SailVina重构增强版
patent-reaction-extraction
Text mining of chemical reactions