Molecule Validation and Standardization
- rdkit
- python
- chemistry
- cheminformatics
Repository Index
47,133 repositories indexed
73–96 of 122 · Most stars
Simple RDKit molecule editor GUI using PySide
Dlang Core Library
- ndslice
- iterator
- range
- algorithms
Trick Simulation Environment. Trick provides a common set of simulation capabilities and utilities to build simulations automatically.
Interoperable web-based DICOM slide microscopy viewer and annotation tool
The V Tensor Library
- v
- hacktoberfest
- autograd
- deep-learning
An ESP32 and 4.2" ePaper Display reads Dark Sky weather API and displays the weather using ESP-IDF
LLM for Drug Editing, ICLR 2024
- chatgpt
- conversation
- drug
- drug-discovery
TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524
- self-attention
- compound-protein-interaction
- transformercpi
- structure-free-virtual-sreening
Batched NVIDIA MotionBricks: generate the motion of hundreds of characters in one model call.
- character-animation
- crowd-simulation
- motion-generation
- motionbricks
OFF, Open source Finite volume Fluid dynamics code
- fluid-dynamics
- fortran
- oop
- cfd
A library of mechanised undecidability proofs in the Coq proof assistant.
ENIGMA HALFpipe is a user-friendly software that facilitates reproducible analysis of fMRI data
- neuroimaging
- reproducibility
- pipeline
- meta-analysis
Learning cell communication from spatial graphs of cells
- tensorflow
- gnn
- glm
- cvae
OCaml Math Library
:spider_web: Compute interesting points, areas, and volumes in simplex meshes of any dimension.
- mathematics
- python
- pypi
- voronoi-diagram
A Swift port of the Cassowary linear constraint solver
- cassowary
- constraint-solver
- swift
A .NET library that provides fast, accurate and automatic differentiation (computes derivative / gradient) of mathematical functions.
- mathematical-modelling
- automatic-differentiation
- mathematics
- math
TranslatedAntifouling coating evidence panel: formulation sandbox, route biofouling stress, literature bounds. Simulation ≠ measurement. Live: https://simulator.jassyhong.top
- biofouling
- formulation
- antifouling
- evidence-panel
Rails frontend to The Genome Institute's drug gene interaction database.
Scientific library for the D programming language
python functions for simulating optical transfer functions
- microscopy
- numpy
Fast detection of repackaged Android applications based on the comparison of resource files included into the package.
- android
- android-security
- repackaging-detection
- java
PyTorch implementation of the MIDAS algorithm for single-cell multimodal data integration (Nature Biotechnology 2024).
- deep-generative-model
- deep-learning
- single-cell-data-integration
- single-cell-multiomics