Wrapper for RDKit's RunReactants to improve stereochemistry handling
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Translated天气战士 (Weather Fighter, "weather warrior") Weather Fighter —— Just honestly looking at the weather is boring, isn't it?
A C# DICOM Library
- dicom
- medical-physics
- radiology
- radiation-oncology
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
scPerturb: A resource and a python/R tool for single-cell perturbation data
- cite-seq
- database
- perturbation
- scatac-seq
:triangular_ruler: Orthogonal polynomials in all shapes and sizes.
- python
- mathematics
- engineering
- physics
MOGONET (Multi-Omics Graph cOnvolutional NETworks) is a novel multi-omics data integrative analysis framework for classification tasks in biomedical applications.
Molecule Validation and Standardization
- rdkit
- python
- chemistry
- cheminformatics
AI-based pathology predicts origins for cancers of unknown primary - Nature
- histology
- pathology
- wsi-images
- histopathology
Open source tumor evidence matching for sequencing labs and hospitals without molecular tumor boards. Research prototype; oncologist review required.
- bioinformatics
- cancer-research
- computational-biology
- drug-repurposing
Simple RDKit molecule editor GUI using PySide
The repository host gives no description.
An automatic code generator for nonlinear model predictive control (NMPC) and the continuation/GMRES method (C/GMRES) based numerical solvers for NMPC
- model-predictive-control
- nonlinear-model-predictive-control
- mpc
- nmpc
Go package for calculating the sunrise and sunset times for a given location
Simple Features is a pure Go Implementation of the OpenGIS Simple Feature Access Specification
Interoperable web-based DICOM slide microscopy viewer and annotation tool
Sparse matrix formats for linear algebra supporting scientific and machine learning applications
- go
- golang
- matrix
- scientific-computing
Mission-control style spacecraft tracker in Rust: live ISS, Dragon, Hubble, JWST and Roman orbits, passes and schedules. Retro CRT themes, and a mode for Raspberry Pi + composite CRT.
OpenBioLink is a resource and evaluation framework for evaluating link prediction models on heterogeneous biomedical graph data.
🏃 The go-to single-cell Foundation Model
- batch-correction
- cell-biology
- celltype-annotation
- denoising
LLM for Drug Editing, ICLR 2024
- chatgpt
- conversation
- drug
- drug-discovery
Code for "Predicting Cellular Responses to Novel Drug Perturbations at a Single-Cell Resolution", NeurIPS 2022.
- disentanglement
- drug-discovery
- genomics
- perturbation
OFF, Open source Finite volume Fluid dynamics code
- fluid-dynamics
- fortran
- oop
- cfd
SolarEstimator: pvlib-based solar estimation platform with Tkinter GUI
- activator
- application
- gui
- pvlib