bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
- huggingface
- bert
- chemical-modelling
- chemical-smiles-data
Repository Index
47,133 repositories indexed
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open source software for bidimensional and tridimensional remeshing
- mesh
- mesh-adaptation
- anisotropic-mesh-adaptation
- isotropic-mesh-adaptation
A model generator for energy system modelling and optimisation (LP/MILP).
- energy
- energy-system
- modelling
- modelling-framework
Deep Reinforcement Learning for de-novo Drug Design
- deeplearning
- reinforcement-learning
- cheminformatics
- molecular-modeling
Collection of self-contained header-only libraries for C++17
Ark -- Archetype-based Entity Component System (ECS) for Go.
- ecs
- entity-component-system
- go
- golang
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
Bi-Directional Equivariant Long-Range DNA Sequence Modeling
Graph-based molecule modeling toolkit for cheminformatics
- cheminformatics
- molecular-modeling
- chemistry
- toolkit
a unified framework for modeling chemically reactive systems
- chemical-equilibrium
- chemical-kinetics
- reactive-transport
- chemical-reactions
Cancer Imaging Phenomics Toolkit (CaPTk) is a software platform to perform image analysis and predictive modeling tasks. Documentation: https://cbica.github.io/CaPTk
- cancer-imaging-research
- radiomics
- radiomics-features
- machine-learning
Practical volume computation and sampling in high dimensions
- geometry
- statistics
- polyhedral-computations
- random-walk
Wrapper for RDKit's RunReactants to improve stereochemistry handling
Python package for image-based profiling
- cytominer
- microscopy
- morphological-profiling
- python
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
The repository host gives no description.
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
An open-source mathematical tire modelling library
Classification and Gradient-based Localization of Chest Radiographs using PyTorch.
- fine-tuning
- vgg16
- resnet18
- densenet121
Methods for Image-Based Cell Profiling
Prime numbers for Coq
- coq
- theorem-proving
- elliptic-curves
- prime-numbers
Predicting Cell Health with Morphological Profiles
- carpenter-lab
- morphological-profiling
- crispr
- cell-painting
Small size matrix handling module with a few linear algebra operations specifically for MicroPython (Python3)