LLM for Drug Editing, ICLR 2024
- chatgpt
- conversation
- drug
- drug-discovery
Repository Index
83,586 visible repositories in the index
145–168 of 221 · Most stars
Scientific computing in pure Crystal
- crystal
- linear-algebra
- machine-learning
- autograd
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
OFF, Open source Finite volume Fluid dynamics code
- fluid-dynamics
- fortran
- oop
- cfd
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
Motor simulation plugins for Gazebo - ROS
Coq Repository at Nijmegen [maintainers=@spitters,@VincentSe,@Lysxia]
- coq-library
- real-number
- coq
- coq-ci
Accelerated tensor operations and dynamic neural networks based on reverse mode automatic differentiation for every device that can run Swift - from watchOS to Linux
- deep-learning
- deep-neural-networks
- gradient-descent
- automatic-differentiation
means completeness and balancing, from the Arabic word الجبر
- algebra
- vector
- matrix
- scalar
hsolve：电磁仿真大规模非正定厄密特征值求解。Certified shift-invert eigensolver for large sparse Hermitian (indefinite, generalized) eigenproblems from EM simulation: MUMPS LDLᵀ + block Krylov-Schur + Sylvester-inertia completeness certificate.
- computational-electromagnetics
- cpp17
- eigensolver
- eigenvalues
FluidSIM: Drag-and-drop electro-pneumatic circuit design and fluid dynamics simulation for Windows
- download-fluidsim
- drag-and-drop
- education
- fluids-physics
Model ChemLab: Virtual Chemistry Lab Simulation for Windows
- acid-base-titration
- download-model-chemlab
- fractional-crystallization
- home-education
Derive: Symbolic Math Engine for Derivatives, Integrals, and Vector Operations on Windows
- derivatives
- derive-installer
- derive-setup
- download-derive
Advanced Windows Mathematics Education Tool with Computational Engine and 2D/3D Visualization
- 2d-graphic-viewer
- 3d-graphic-viewer
- engineers-software
- equation-editor
Data Access Client for Global Surface Summary of the Day (GSOD) Weather Written in R
- r
- weather-data
- gsod
- ncdc
A handy calculator, based on Rust and WebAssembly.
- webassembly
- calculator
- math
- rust
Detecting cancers on mobile phones
A math and collisions library for Lua.
- math
- intersection
- lua
🔟 Implementation of rational number arithmetic for .NET with arbitrary precision.
- arbitrary-precision
- biginteger
- bigrational
- c-sharp
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
Variations on Kirby & Paris' hydra battles and other entertaining math in Coq (collaborative, documented, includes exercises) [maintainer=@Casteran]
- coq
- hydra-battles
- ordinal-notations
- formal-proofs
NeuroAnatomy Toolbox: An R package for the (3D) visualisation and analysis of biological image data, especially tracings of single neurons.
- r
- neuroanatomy-toolbox
- cran
- neuron