theochem / procrustes
Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
☆114Updated 3 weeks ago
Related projects ⓘ
Alternatives and complementary repositories for procrustes
- Library for diffusion maps☆47Updated 2 years ago
- Codebase for Cormorant Neural Networks☆60Updated 2 years ago
- repository and website for tutorials on 3d Euclidean equivariant neural networks☆64Updated 3 years ago
- ☆40Updated 2 years ago
- Running PDEs on graph☆27Updated 2 years ago
- Distance-based Analysis of DAta-manifolds in python☆108Updated this week
- Library for training Gaussian Processes on Molecules☆36Updated 2 years ago
- Euclidean Neural Networks☆188Updated 3 years ago
- Pytorch differentiable molecular dynamics☆169Updated 2 years ago
- ☆85Updated 2 years ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆90Updated last week
- C++/CUDA library for SO(3) equivariant operations☆19Updated last month
- Examples for use in teaching HPSC workflows, from how to successfully parallelize code, to how to submit that code on an HPC system.☆36Updated 8 months ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆23Updated 7 months ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆128Updated 2 years ago
- Differentiable scientific computing library☆141Updated 3 months ago
- Fast computation of diffusion maps and geometric harmonics in Python. Moved to https://git.sr.ht/~jmbr/diffusion-maps☆41Updated 3 years ago
- ☆16Updated 2 years ago
- (NeurIPS 2022) Fast Bayesian Inference with Batch Bayesian Quadrature via Kernel Recombination☆17Updated last year
- Deep learning meets molecular dynamics.☆175Updated 5 years ago
- ☆155Updated 4 years ago
- C++ Accelerated Python Diffusion Maps Library☆23Updated 6 years ago
- parameterizing valid Euclidean distance matrices (EDMs) via neural networks☆19Updated 5 years ago
- ☆59Updated 2 years ago
- Comparing graph representations for molecular features prediction☆21Updated last year
- Equivariant Mesh Attention Networks☆21Updated 2 years ago
- Boltzmann Generators and Normalizing Flows in PyTorch☆150Updated 9 months ago
- Lie Algebra Convolutional Network implementation☆42Updated 2 years ago
- Code used by the "Clifford Group Equivariant Neural Networks" paper.☆76Updated 5 months ago
- Deep Supervised Graph Partitioning Model☆14Updated 3 years ago