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The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)
[Nat. Commun.] PatCID: an open-access dataset of chemical structures in patent documents
A GFlowNet with a chemical synthesis action space.
A bidirectional tree search algorithm for generating synthetic analogs
Full stack, modern web application template. Using FastAPI, React, SQLModel, PostgreSQL, Docker, GitHub Actions, automatic HTTPS and more.
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)
Recursion's molecular foundation model
π― Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
Algorithmic process optimization and AI experiment design
A Library for Gaussian Processes in Chemistry
Track emissions from Compute and recommend ways to reduce their impact on the environment.
Simple RDKit molecule editor GUI using PySide
ζ¬ζεζη±η₯ε Hacker Eric S. Raymond ζζ°ε―«οΌζδ½ ε¦δ½ζ£η’ΊηζεΊζθ‘ει‘δΈ¦η²εΎδ½ ζ»Ώζηηζ‘γ
Building-block and reaction-aware SAScore
NequIP is a code for building E(3)-equivariant interatomic potentials
π MapleStory Nexon Open API Client Library for TypeScript, Java, C#, Python. KMS, MSEA is now available!π
A high-throughput and memory-efficient inference and serving engine for LLMs
Easy-to-use and powerful LLM and SLM library with awesome model zoo.
Finding organic reaction mechanism with reaction and mechanistic templates
Precise reaction atom-to-atom mapping with LocalMapper
Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
Scrape Facebook public pages without an API key