a molecular descriptor calculator
Repository Index
47,133 repositories indexed
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Official repository for the ProteinGym benchmarks
- benchmark
- computational-biology
- protein
- protein-design
Python version of the SGP4 satellite position library
Simulation for spacecraft attitude control system analysis and design
PyKEP is a scientific library providing basic tools for research in interplanetary trajectory design.
- interplanetary
- mission-analysis
- astrodynamics
- aerospace
A library designed to ease geographic coordinate format conversions, and determine sun/moon information in C#
- moon
- coordinates
- longitude
- latitude
Pathology Language and Image Pre-Training (PLIP) is the first vision and language foundation model for Pathology AI (Nature Medicine). PLIP is a large-scale pre-trained model that can be used to extract visual and language features from pathology images and text description. The model is a fine-tuned version of the original CLIP model.
- artificial-intelligence
- clip
- pathology
- vision-and-language
Deep Reinforcement Learning for de-novo Drug Design
- deeplearning
- reinforcement-learning
- cheminformatics
- molecular-modeling
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
- ai-for-science
- diffusion-models
- drug-design
- equivariant-networks
The TiGL Geometry Library to process aircraft geometries in pre-design.
- opencascade
- aircraft
- c-plus-plus
- geometry
Native R and Python sample-deletion robustness for omics: candidate certificates, minimum deletion bounds, Bioconductor model refits and donor-level pseudobulk
- bioinformatics
- exact-optimization
- metabolomics
- paired-data
City Energy Analyst (CEA) is an open-source urban building energy modeling (UBEM) platform and computation tool for the design of low-carbon and highly efficient cities.
- python
- urban-design
- urban-analytics
- ubem
Descriptor computation(chemistry) and (optional) storage for machine learning
A formalization of geometry in Coq based on Tarski's axiom system
Trick Simulation Environment. Trick provides a common set of simulation capabilities and utilities to build simulations automatically.
A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design
- protein
- protein-sequences
- protein-design
- representation-learning
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
A .NET library that provides fast, accurate and automatic differentiation (computes derivative / gradient) of mathematical functions.
- mathematical-modelling
- automatic-differentiation
- mathematics
- math
The repository host gives no description.
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
Lua package that includes functions for Fast Fourier Transformations.
Minerva Story is an image viewer that is designed specifically to make it easy for non-expert users to interact with complex tissue images.
- minerva
- microscopy
- ome
- immunofluorescence
Tiny header-only C++17 library for lat/lng geometry: distance, bearing, area, point-in-polygon and path proximity
MCP server for spatial transcriptomics analysis through natural language interfaces.
- bioinformatics
- cell-communication
- deconvolution
- machine-learning