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A Hybrid GNN Approach for Improved Molecular Property Prediction
A Python toolbox for performing gradient-free optimization
Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…
Plugin for folding sequences directly in PyMOL
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Toolkit for alphafold3 input and output files
A python package for chemical space visualization.
Tesseract Open Source OCR Engine (main repository)
User-friendly AI Interface (Supports Ollama, OpenAI API, ...)
Simple, unified interface to multiple Generative AI providers
Various Applications and Descriptions of GNN with Pytorch, Pytorch Geometric.
Google Research
Unified Efficient Fine-Tuning of 100+ LLMs & VLMs (ACL 2024)
A collection of projects designed to help developers quickly get started with building deployable applications using the Anthropic API
arXiv 논문을 자동으로 한국어로 번역하고, LaTeX 소스에서 PDF 파일을 생성하는 도구입니다. OpenAI GPT API를 사용하여 번역을 수행합니다.
scikit-learn classes for molecular vectorization using RDKit
Jobs_Applier_AI_Agent aims to easy job hunt process by automating the job application process. Utilizing artificial intelligence, it enables users to apply for multiple jobs in a tailored way.
Simple RDKit molecule editor GUI using PySide
Source code for metabolite identification with bi-modal VAEs
Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc81d) and data augmentation strategies (https://doi.org/10.26…
Official data repository for the Open Reaction Database
DirectML is a high-performance, hardware-accelerated DirectX 12 library for machine learning. DirectML provides GPU acceleration for common machine learning tasks across a broad range of supported …
GraphDTA: Predicting drug-target binding affinity with graph neural networks