Graphormer is a general-purpose deep learning backbone for molecular modeling.
-
Updated
Apr 3, 2024 - Python
Graphormer is a general-purpose deep learning backbone for molecular modeling.
A Curated List of Language Models in Scientific Domains
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.
Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
Recent advancements propelled by large language models (LLMs), encompassing an array of domains including Vision, Audio, Agent, Robotics, and Fundamental Sciences such as Mathematics.
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
List of Geometric GNNs for 3D atomic systems
[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
Must-read papers on NLP for science.
ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
[NeurIPS 2023] This is the official code for the paper "TPSR: Transformer-based Planning for Symbolic Regression"
[ICLR 2024 Spotlight] This is the official code for the paper "SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-training"
A curated list of awesome AI and Bioinformatics.
AI4Science: Python/Matlab implementation of online and window dynamic mode decomposition (Online DMD and Window DMD)
ChatCell: Facilitating Single-Cell Analysis with Natural Language
The official code for "TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation"
MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
Add a description, image, and links to the ai4science topic page so that developers can more easily learn about it.
To associate your repository with the ai4science topic, visit your repo's landing page and select "manage topics."