Associated Repository for "Translation between Molecules and Natural Language"
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47,133 repositories indexed
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Fast Math Library for Delphi
- delphi-rtl
- delphi-fastmath
- fastmath
- overloaded-operators
A collection of useful mathematical functions in Elixir with a slant towards statistics, linear algebra and machine learning
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
Molecule Validation and Standardization
- rdkit
- python
- chemistry
- cheminformatics
AI-based pathology predicts origins for cancers of unknown primary - Nature
- histology
- pathology
- wsi-images
- histopathology
Simple RDKit molecule editor GUI using PySide
The implementation code for "DAGAN: Deep De-Aliasing Generative Adversarial Networks for Fast Compressed Sensing MRI Reconstruction"
- generative-adversarial-network
- mri-reconstruction
- computer-vision
- deep-learning
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
Simple Features is a pure Go Implementation of the OpenGIS Simple Feature Access Specification
A python Two Source Energy Balance model for estimation of evapotranspiration with remote sensing data
- source-energy-balance
- canopy
- soil
- radiometric-temperatures
Sparse matrix formats for linear algebra supporting scientific and machine learning applications
- go
- golang
- matrix
- scientific-computing
A library of abstract interfaces for mathematical structures in Coq [maintainer=@spitters,@Lysxia]
- coq-library
- typeclasses
- mathematics
- coq
🏃 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
Fork of https://gitlab.mpcdf.mpg.de/mtr/pocketfft to simplify external contributions
A framework for high-performance domain decomposition methods.
- c-plus-plus
- linear-algebra
- python
- fortran
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
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.
The source code for the Menge crowd simulation framework
Automated 3D brain registration with support for multiple species and atlases.
- registration
- atlases
- brain
- neuroscience
Accurate and efficient spot detection for microscopy data
Numpy-like library in swift. (Multi-dimensional Array, ndarray, matrix and vector library)
- swift
- math
- ndimensional-arrays
- ndarray
RTree2D is a 2D immutable R-tree for ultra-fast nearest and intersection queries in plane and spherical coordinates
- scala
- rtree
- 2d
- str