repo for LLM for Materials and Chemistry Hackathon 2024
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Updated
May 10, 2024 - Jupyter Notebook
repo for LLM for Materials and Chemistry Hackathon 2024
PyTorch Implementation of CLEAN-Contact: Contrastive Learning-enabled Enzyme Functional Annotation Prediction with Structural Inference
Codebase for PINNacle: A Comprehensive Benchmark of Physics-Informed Neural Networks for Solving PDEs.
The official code for "Deep peak property learning for efficient chiral molecules ECD spectra prediction"
Deep Symbolic Regression with Multimodal Pretraining
Papers about deep learning in epidemic modeling.
Sunwoda Electronic Co., Ltd, and Tsinghua Berkeley Shenzhen Institute (TBSI) generate the TBSI Sunwoda Battery Dataset. We open-source this dataset to inspire more data-driven novel material verification, battery management research and applications.
Bayesian Optimization for Precision Agriculture
This repo implements many methods to retrieve molecules that are similar to a target molecule from a large molecule corpus.
Quasar Factor Analysis – An Unsupervised and Probabilistic Quasar Continuum Prediction Algorithm with Latent Factor Analysis
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
Este proyecto es una aplicación web que utiliza la API de OpenAI para generar automáticamente presentaciones educativas. La aplicación permite a los usuarios ingresar información sobre el tema de la clase, la duración, el nivel educativo y las palabras clave relevantes.
「機械学習による分子最適化」のサポートページ
MAGIC: Microlensing Analysis Guided by Intelligent Computation. A PyTorch framework for automatic analysis of realistic microlensing light curves.
Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
[ICLR'24] "DeepZero: Scaling up Zeroth-Order Optimization for Deep Model Training" by Aochuan Chen*, Yimeng Zhang*, Jinghan Jia, James Diffenderfer, Jiancheng Liu, Konstantinos Parasyris, Yihua Zhang, Zheng Zhang, Bhavya Kailkhura, Sijia Liu
The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
[ICLR 2024 Spotlight] This is the official code for the paper "SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-training"
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