☆46Apr 1, 2026Updated 4 months ago
Alternatives and similar repositories for SAGA
Users that are interested in SAGA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆31Aug 2, 2025Updated last year
- ☆18Mar 14, 2026Updated 4 months ago
- ☆20May 25, 2026Updated 2 months ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆33Dec 8, 2023Updated 2 years ago
- CompBioBench: A benchmark of 100 diverse, verifiable questions for agents for computational biology (scripts for running agents)☆50Apr 6, 2026Updated 3 months 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.
- ☆55Jul 13, 2022Updated 4 years ago
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆26Jul 4, 2026Updated last month
- Molecular Out-Of-Distribution☆41Apr 16, 2025Updated last year
- GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"☆12Jul 25, 2024Updated 2 years ago
- ☆31Mar 13, 2026Updated 4 months ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆27Feb 9, 2024Updated 2 years ago
- ☆15Apr 8, 2026Updated 3 months ago
- ☆15Jul 21, 2026Updated 2 weeks ago
- Right into the Saddle: Stereochemistry-Aware Generation of Molecular Transition States☆25Apr 7, 2026Updated 3 months 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.
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆92Dec 4, 2023Updated 2 years ago
- Run OpenMM with forces provided by any Python program☆42Dec 25, 2024Updated last year
- my own studied materials and scripts☆65Jan 20, 2026Updated 6 months ago
- Multi-modal conditioning diffusion model for MOFs generation☆43Nov 19, 2025Updated 8 months ago
- ☆28Jun 1, 2026Updated 2 months ago
- ☆39Nov 23, 2025Updated 8 months ago
- NP classifier using torch and lightning☆23Jun 1, 2026Updated 2 months ago
- Official implementation of Paper "System-Aware 4-Bit KV-Cache Quantization for Real-World LLM Serving"☆30Apr 17, 2026Updated 3 months ago
- High-throughput workflows to calculate surface energies of solids.☆12Jun 24, 2024Updated 2 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.
- ☆12Sep 9, 2020Updated 5 years ago
- ☆35Sep 12, 2022Updated 3 years ago
- This repository enables inference and sampling for Dyno Psi-1, a de novo miniprotein binder design model.☆23Mar 24, 2026Updated 4 months ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆19Oct 17, 2024Updated last year
- Repository for Protein-Vec, a protein embedding mixture of experts model☆38Jan 24, 2024Updated 2 years ago
- Code for the paper "Molecule Design by Latent Space Energy-based Modeling and Gradual Distribution Shifting" in UAI 2023☆15Nov 15, 2023Updated 2 years ago
- ☆36Jun 17, 2026Updated last month
- ☆49May 25, 2026Updated 2 months ago
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 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.
- TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…☆14Jan 6, 2025Updated last year
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆24Sep 3, 2024Updated last year
- An exploration of the state of the art in the application of data science to quantum chemistry.☆13Dec 30, 2025Updated 7 months ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆41Jul 9, 2023Updated 3 years ago
- protein structure generation with sparse all-atom denoising models☆62Jul 7, 2026Updated 3 weeks ago
- A full-stack, cross-platform software for generating, compiling, and executing quantum circuits for simulating quantum many-body dynamics…☆17Jun 2, 2021Updated 5 years ago
- TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.☆11Nov 10, 2021Updated 4 years ago