A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
- deep-learning
- pytorch
- deep-chemistry
- graph-neural-network
Repository Index
47,133 repositories indexed
97–120 of 347 · Most stars
libMesh github repository
- fem
- finite-element-methods
- simulation
- parallel
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
Simultaneous Nuclear Instance Segmentation and Classification in H&E Histology Images.
Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.
- deep-learning
- protein-sequences
- protein-structure
- semi-supervised-learning
An open library for the analysis of molecular dynamics trajectories
- molecular-dynamics
- python
- mdtraj
- rmsd
A Go package for engineering organisms.
- synthetic-biology
- synbio
- genetic-engineering
- molecular-biology
VexCL is a C++ vector expression template library for OpenCL/CUDA/OpenMP
- opencl
- cuda
- c-plus-plus
- gpgpu
Clinical Histopathology Imaging Evaluation Foundation Model
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
RBDL is a C++ library that contains some essential and efficient rigid body dynamics algorithms such as the Articulated Body Algorithm (ABA) for forward dynamics, Recursive Newton-Euler Algorithm (RNEA) for inverse dynamics, the Composite Rigid Body Algorithm (CRBA) for the efficient computation of the joint space inertia matrix and is also able to compute forward dynamics with external contact constraints and collision impulses. Furthermore it has some basic support for forward and inverse kinematics.
- articulated-body-algorithm
- inverse-dynamics
- forward-dynamics
- multi-body-dynamics
A Compositional Numeric Library for C++
- cmake
- cpp
- fixed-point
- safe
Cosette is an automated SQL solver.
Generation of protein sequences and evolutionary alignments via discrete diffusion models
- discrete-diffusion
- generative-model
- multiple-sequence-alignment
- protein-sequences
Firedrake is an automated system for the portable solution of partial differential equations using the finite element method (FEM)
Interactive network visualization in Python and Dash, powered by Cytoscape.js
- plotly-dash
- plotly
- dash
- cytoscape
Numpy clone in Common Lisp
⚗ A package useful for chemistry written in Python
- chemistry
- physical-chemistry
- chemical-kinetics
- chemical-formulas
FiPy is a Finite Volume PDE solver written in Python
- scientific-computing
- scientific-computing-with-python
- phase-field
- materials-science
The Point Processing Toolkit (pptk) is a Python package for visualizing and processing 2-d/3-d point clouds.
- pointclouds
- 3-d
- visualization
- lidar
A Swift micro library for generating Sunrise and Sunset times on device, requiring no network access.
- swift
- sunrise
- sunset
- ios
Module for statistical learning, with a particular emphasis on time-dependent modelling
- machine-learning
- python
- point-process
- optimization
Lightweight, super fast C/C++ (& Python) library for sequence alignment using edit (Levenshtein) distance.
- sequence-alignment
- edit-distance
- levehnstein-distance
- library
The Chemistry Development Kit
- code4lib
- chemistry
- java
- cheminformatics