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Multi GPU Training Code for Deep Learning with PyTorch
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Generative Pre-Training from Molecules
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
An evaluation framework for machine learning models simulating high-throughput materials discovery.
Large Language Model based Multi-Agents: A Survey of Progress and Challenges
Generate entity-relationship diagrams from PostgreSQL by PlantUML, DBML-renderer, ERAlchemy, etc.
Synthetic Minority Over-Sampling Technique for Regression
Practical Cheminformatics Tutorials
Imbalanced Learning Regression
AsyncSSH is a Python package which provides an asynchronous client and server implementation of the SSHv2 protocol on top of the Python asyncio framework.
Scientific server implementation for the cloud environment
Modular standalone fat-client GUI for X-ray diffraction data simulations, analysis, and sharing
Browser plugin-free CIF visualization: comparison of the open-source engines
Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats
U-Net implementation in PyTorch for FLAIR abnormality segmentation in brain MRI
PyTorch implementation of the U-Net for image semantic segmentation with high quality images
Visualize peewee database and export it as JPG/PDF.
Godot Gym API is an Open Source framework for using Godot3 game engine as 3d-environment for training reinforcement learning agents implemented in Python on any data, including images and point clo…