115 results for “topic:chemical”
Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks, and the other Python software. This textbook teaches a variety of Python packages including NumPy, SciPy, matplotlib, pandas, seaborn, nmrglue, SymPy, scikit-image, scikit-learn, and others.
Worship your favorite molecule by setting it as your wallpaper.
web-based protein structure viewer and analysis tool interactively or in batch mode
3D Periodic Table Viewer
A python module for manipulating cartesian and internal coordinates.
Easily create your own web proxy with no experience required.
BioSTEAM's Premier Thermodynamic Engine
Draw molecules with plotly!
A julia package for the manipulation of crystal net representations and topology
User Defined Functions for multi-component thermodynamic calculations of the Predictive Peng-Robinson 1978 Equation of State. Clean VBA functions - no UI changes and no pop up messages. Errors are reported in cell comments. Import Math.bas, ModArraySupport.bas and ChemE_Functions.bas into PData.xlsx and save as xlsm or simply download PData.xlsm.
Experiment on NER task using Huggingface state-of-the-art Transformers Natural Language Models library
Visualization and analysis platform for metabolic data and network pattern recognition
A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PSRK, Joback, and Abdulelah-Gani models are implemented.
A high-performance chemical equation parser and balancer
High Performance Native Programming Language With Minimal Syntax
Chemical Equation Balancing
No description provided.
MyChem.info: A BioThings API for chemical/drug annotations
PyChemEngg is a python-based framework to promote problem solving and critical thinking in chemical engineering.
Chemical engineering calculations as Jupyter notebook
Jupyter notebooks and data for incorporating programming into chemistry courses
从分子结构搜索化合物信息
ligand-based virtual screening with consensus queries
Chemical Structure Generator
Converting chemical formulae to fingerprints and then compared for similarity in Milvus.
Implementation of NAACL 2024 main conference paper: Named Entity Recognition Under Domain Shift via Metric Learning for Life Science
Python library to analyze chemical and related process plants.
危险化学品管理系统遵循“统一规划、流程管控、线上线下融合”原则，覆盖计划、采购、验收、库存、使用至报废处置全链条。集成智能存储柜、称重台、人脸识别与RFID技术，自动执行“五双”管理，实现权限核验、出入库记录自动生成、非法行为报警及快速盘点，确保危化品全程可溯、可控、可防。
Brisbane airpot Contaminant model (Flopy)
Benzyl titanium的遗书