Public releases of the msmJAX fast electrostatics code
☆13Mar 26, 2026Updated 6 months ago
Alternatives and similar repositories for msmjax
Users that are interested in msmjax are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- OpenMM plugin for running JAX force fields through JaxForce☆16Aug 10, 2026Updated 2 months ago
- Reversible molecular simulation☆14May 28, 2025Updated last year
- jax/flax training infrastructure☆16Oct 2, 2026Updated 3 weeks ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- ☆22May 7, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Particle-mesh based calculations of long-range interactions in JAX☆32Updated this week
- PyTorch operations for use in creating machine learning interatomic potentials☆22Sep 15, 2026Updated last month
- Custom trained GRACE-OFFF models☆11Jun 2, 2026Updated 4 months ago
- Functional JAX middleware using a compute Node abstraction☆22Sep 6, 2026Updated last month
- Training Neural Network potentials through customizable routines in JAX.☆74Oct 7, 2026Updated 2 weeks ago
- tools for graph-based machine-learning potentials in jax☆28Apr 9, 2024Updated 2 years ago
- ☆13Sep 15, 2026Updated last month
- FLOPS counter for all your GPU benchmarking needs☆13Aug 8, 2024Updated 2 years ago
- D. E. Shaw Research Technical Reports☆15Jul 4, 2022Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆61Oct 5, 2026Updated 2 weeks ago
- QuantumDNA is an open-source Python package for simulating exciton and charge transfer in DNA using quantum mechanical methods. Designed …☆13Sep 23, 2026Updated last month
- ☆18Sep 29, 2026Updated 3 weeks ago
- ☆22Oct 13, 2026Updated last week
- Developer blog for PyTorch☆22Sep 30, 2026Updated 3 weeks ago
- The scripts for Gen-COMPAS framework☆83Sep 20, 2026Updated last month
- ☆13May 28, 2026Updated 4 months ago
- Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling☆15Apr 20, 2021Updated 5 years ago
- Implementation of various equivariant models in JAX☆18Apr 12, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- LES extension package for NequIP☆21Aug 14, 2026Updated 2 months ago
- Python tools for working with LAMMPS files☆16Oct 5, 2026Updated 2 weeks ago
- Many-body dispersion library☆13Sep 16, 2026Updated last month
- Virtual Decoupled Cores: Composable Programming Framework and Runtime for Async GPUs☆25Updated this week
- JAX support for tvm-ffi abi☆28May 14, 2026Updated 5 months ago
- ☆63Sep 16, 2026Updated last month
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- ☆51Jul 17, 2026Updated 3 months ago
- Microbenchmarking hyperparameter tuning for JAX functions.☆24Oct 9, 2026Updated 2 weeks ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- minimal compiler☆24Feb 19, 2026Updated 8 months ago
- STable AutoCorrelation Integral Estimator for time-correlated data☆20Oct 12, 2026Updated last week
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 3 years ago
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆17Nov 20, 2025Updated 11 months ago
- The Devil in the Details: A Tutorial Review on Some Undervalued Aspects of Density Functional Theory Calculations☆10Sep 13, 2020Updated 6 years ago
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget☆80Apr 5, 2026Updated 6 months ago
- JAX + Units☆54Mar 2, 2026Updated 7 months ago