The Z3 Theorem Prover
Repository Index
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Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
Physics Informed Deep Learning: Data-driven Solutions and Discovery of Nonlinear Partial Differential Equations
The Rocq Prover is an interactive theorem prover, or proof assistant. It provides a formal language to write mathematical definitions, executable algorithms and theorems together with an environment for semi-interactive development of machine-checked proofs.
- proof-assistant
- coq
- theorem-proving
- dependent-types
A collection of some of the neat math and physics tricks that I've collected over the last few years.
Official repository for the Boltz biomolecular interaction models
- binding-prediction
- drug-discovery
- protein-structure
Message Passing Neural Networks for Molecule Property Prediction
- machine-learning
- chemistry
- neural-networks
- drug-discovery
Chai-1, SOTA model for biomolecular structure prediction
A Coq library for Homotopy Type Theory
- type-theory
- homotopy-type-theory
- univalent-foundations
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
- drug-repurposing
- deep-learning
- drug-target-interactions
- toolkit
This rocq library aims to formalize a substantial body of mathematics using the univalent point of view.
- coq
- mathematics
- unimath
- coq-library
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- machine-learning
- generative-models
- drug-discovery
- benchmark
:four_leaf_clover: Evolutionary optimization library for Go (genetic algorithm, partical swarm optimization, differential evolution)
Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
- deep-learning
- pytorch
- deep-chemistry
- graph-neural-network
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
Simultaneous Nuclear Instance Segmentation and Classification in H&E Histology Images.
Mathematical Components
- coq
- ssreflect
- mathcomp
- coq-formalization
Molecular Processing Made Easy.
- python
- molecule
- rdkit
- drug-discovery
Universal cheminformatics toolkit, utilities and database search tools
- indigo
- bingo
- cheminformatics
- chemistry
Deep Reinforcement Learning for de-novo Drug Design
- deeplearning
- reinforcement-learning
- cheminformatics
- molecular-modeling
Formal proof of the Four Color Theorem [maintainer=@ybertot]
- coq
- ssreflect
- mathcomp
- four-color-theorem
Mathematical Components compliant Analysis Library
- rocq
- analysis
- coq
- mathcomp
CoqHammer: An Automated Reasoning Hammer Tool for Rocq - Proof Automation for Dependent Type Theory
- coq
- hammer
- automation
- proof-search