☆13Oct 29, 2024Updated 2 years ago
Alternatives and similar repositories for Neural_P3M
Users that are interested in Neural_P3M are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICLR 2024] Official Implementation of Long-Short-Range Message-Passing☆19Sep 7, 2025Updated last year
- ICLR 2026☆23Nov 20, 2025Updated 11 months ago
- ☆10Jan 10, 2025Updated last year
- ☆45Jul 7, 2024Updated 2 years ago
- OpenMM plugin for running JAX force fields through JaxForce☆16Aug 10, 2026Updated 2 months 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.
- AI-powered ab initio biomolecular dynamics simulation☆582Feb 18, 2025Updated last year
- ☆11Feb 15, 2022Updated 4 years ago
- Euclid-equivariant operations for JAX☆27Oct 15, 2026Updated 2 weeks ago
- Scaling Density Functional Theory with Gaussian Splatting☆14Oct 17, 2026Updated 2 weeks ago
- ☆11Mar 12, 2026Updated 7 months ago
- Learning Hamiltonian Flow Maps via Mean Flow Consistency for Large-Timestep Molecular Dynamics☆44Jul 4, 2026Updated 3 months ago
- Isomorphisms of quiver representations applied to neural networks.☆17Jul 25, 2024Updated 2 years ago
- TaskNya是一个通用的任务监控与通知工具，适用于通用任务的监控和通知。☆13May 12, 2026Updated 5 months ago
- Geometric-facilitated Denoising Diffusion Model for 3D Molecule Generation☆10Jan 14, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A trivial CLI library. https://docs.kidger.site/seali/☆13May 10, 2026Updated 5 months ago
- Benchmarking and validation of Machine Learning Interatomic Potentials (MLIP)☆19Sep 30, 2026Updated last month
- a method for CPI and DTA prediction☆12Jun 18, 2022Updated 4 years ago
- [ICML 2026 GenBio Workshop] Official Implementation for "Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking"☆17Jun 30, 2026Updated 4 months ago
- Exceeding double-hybrid accuracy at meta-GGA cost by transferring chemical accuracy from wavefunction methods to DFT. A performant JAX pi…☆14Jul 12, 2026Updated 3 months ago
- G-K BertDTA is a research tool facilitating drug-target interaction prediction. Leveraging multi-modal data integration and advanced mach…☆14Nov 22, 2023Updated 2 years ago
- ☆18May 25, 2023Updated 3 years ago
- Official implementation of "NinA: Normalizing Flows in Action. Training VLA Models with Normalizing Flows"☆19Sep 22, 2025Updated last year
- ☆17Jun 24, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆11Jul 15, 2021Updated 5 years ago
- Heterogeneous relational message passing networks (HermNet)☆14Oct 10, 2022Updated 4 years ago
- Pipeline and solution for this competition.☆10Feb 26, 2021Updated 5 years ago
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆39Apr 27, 2025Updated last year
- OpenAI Codex API proxy with multi-account pool, format conversion, and admin dashboard☆25Mar 27, 2026Updated 7 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated last year
- ☆16Feb 9, 2026Updated 8 months ago
- Microbenchmarking hyperparameter tuning for JAX functions.☆24Oct 9, 2026Updated 3 weeks ago
- ☆20Oct 21, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- DeepCDA☆15Mar 19, 2020Updated 6 years ago
- ☆16Nov 5, 2024Updated last year
- [ICML 2025 GenBio Workshop] Official Implementation for "Electrostatics from Laplacian Eigenbasis for Neural Network Interatomic Potentia…☆18Jun 12, 2025Updated last year
- Source code of paper: "MCANet: Shared-weight-based MultiheadCrossAttention network for drug-target interaction prediction"☆17Apr 10, 2023Updated 3 years ago
- ☆17Apr 28, 2020Updated 6 years ago
- Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".☆18Nov 7, 2024Updated last year
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆18Jan 27, 2022Updated 4 years ago