JR-1991 / CatalaxLinks
ποΈ - JAX-based framework to model biological systems
β16Updated 2 months ago
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 Networksβ221Updated 3 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.β109Updated 8 months ago
- Fully and Partially Bayesian Neural Netsβ80Updated 7 months ago
- Implementation of Forward Laplacian algorithm in JAXβ92Updated 2 weeks ago
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.β40Updated 9 months ago
- Stochastic Gradient MCMC for Jaxβ17Updated 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
- Gaussian Processes for Experimental Sciencesβ231Updated 5 months ago
- An implementation of SchNet in JAX and JAX-MD.β17Updated 3 years ago
- Distance-based Analysis of DAta-manifolds in pythonβ137Updated last week
- Self-describing sparse tensor data format for atomistic machine learning and beyondβ90Updated this week
- β53Updated 3 years ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.β70Updated last year
- Sparse Linear Regression Modelsβ19Updated last week
- β205Updated last month
- Pytorch differentiable molecular dynamicsβ181Updated 3 years ago
- A tool to optimize real world problemsβ114Updated last week
- A cryo-electron microscopy image simulation library for building data analysis in JAXβ40Updated this week
- A simple Python wrapper for Slurm with flexibility in mind.β160Updated 7 months ago
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-fβ¦β31Updated last year
- An implementation of ESM2 in Equinox+JAXβ35Updated 6 months ago
- Equivariant machine learning interatomic potentials in JAX.β80Updated last week
- Tools for building equivariant polynomials on reductive Lie groups.β36Updated 2 years ago
- tools for graph-based machine-learning potentials in jaxβ25Updated last year
- Exchange correlation functionals translated from libxc to jaxβ46Updated 8 months ago
- Differentiate all the things!β162Updated 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
- Matrix-free linear algebra in JAX.β152Updated last week
- E(n) Equivariant GNN in jaxβ14Updated 2 years ago
- Normalizing-flow enhanced sampling package for probabilistic inference in Jaxβ254Updated last month