JR-1991 / CatalaxLinks
ποΈ - JAX-based framework to model biological systems
β15Updated last month
Alternatives and similar repositories for Catalax
Users that are interested in Catalax are comparing it to the libraries listed below
Sorting:
- jax library for E3 Equivariant Neural Networksβ218Updated 2 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.β109Updated 7 months ago
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.β39Updated 8 months ago
- Fully and Partially Bayesian Neural Netsβ77Updated 6 months ago
- An implementation of SchNet in JAX and JAX-MD.β17Updated 3 years ago
- Cryo electron microscopy image simulation and analysis built on JAX.β39Updated last week
- Implementation of Forward Laplacian algorithm in JAXβ89Updated last month
- Self-describing sparse tensor data format for atomistic machine learning and beyondβ89Updated last week
- A flexible and performant framework for training machine learning potentials.β30Updated last week
- Stochastic Gradient MCMC for Jaxβ16Updated 6 months ago
- β53Updated 3 years ago
- β22Updated 6 months ago
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electrβ¦β63Updated 7 months ago
- Particle-mesh based calculations of long-range interactions in JAXβ19Updated this week
- Equivariant machine learning interatomic potentials in JAX.β79Updated this week
- tools for graph-based machine-learning potentials in jaxβ25Updated last year
- An implementation of ESM2 in Equinox+JAXβ34Updated 5 months ago
- Differentiate all the things!β159Updated last month
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.β70Updated last year
- Gaussian Processes for Experimental Sciencesβ228Updated 4 months ago
- MESS: Modern Electronic Structure Simulationsβ42Updated last month
- Distance-based Analysis of DAta-manifolds in pythonβ136Updated last month
- E(n) Equivariant GNN in jaxβ14Updated 2 years ago
- Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"β12Updated 2 years ago
- β19Updated 2 years ago
- Matrix-free linear algebra in JAX.β149Updated 2 weeks ago
- GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine lβ¦β108Updated last year
- Exchange correlation functionals translated from libxc to jaxβ46Updated 7 months ago
- Higher order equivariant graph neural networks for 3D point cloudsβ45Updated 2 years ago
- Tools for building equivariant polynomials on reductive Lie groups.β35Updated 2 years ago