Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"
☆57Oct 20, 2021Updated 4 years ago
Alternatives and similar repositories for ChIRo
Users that are interested in ChIRo 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] MARCEL: Machine Learning over Molecular Conformer Ensembles☆46Sep 1, 2026Updated last month
- A Generative Model for Molecules in 3D Space☆12Nov 10, 2021Updated 4 years ago
- Generative model for molecular distance geometry☆38Mar 24, 2023Updated 3 years ago
- Geometric algebra attention mechanism for tensorflow, keras, pytorch, and jax☆22Jan 24, 2024Updated 2 years ago
- ☆13Oct 21, 2018Updated 7 years ago
- 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.
- ☆63Dec 8, 2024Updated last year
- ☆25Jul 5, 2023Updated 3 years ago
- ☆20Feb 5, 2024Updated 2 years ago
- ☆20Jun 21, 2022Updated 4 years ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆29May 19, 2022Updated 4 years ago
- This repository implements Distilled Graph Attention Policy Networks (DGAPNs), a curiosity-driven reinforcement learning model to generat…☆21Jan 21, 2022Updated 4 years ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆52May 4, 2026Updated 5 months ago
- GEOM: Energy-annotated molecular conformations☆259Apr 24, 2022Updated 4 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆31May 29, 2021Updated 5 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆16Mar 2, 2022Updated 4 years ago
- ☆12Aug 15, 2023Updated 3 years ago
- ☆17Nov 14, 2022Updated 3 years ago
- LaTeX template for homework☆13May 19, 2020Updated 6 years ago
- ☆35Feb 12, 2025Updated last year
- ☆12May 12, 2023Updated 3 years ago
- ATOM3D: tasks on molecules in three dimensions☆319Mar 2, 2023Updated 3 years ago
- Structure-based drug design based on Retrieval Augmented Generation☆29Nov 7, 2025Updated 11 months ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆290Feb 11, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆73Aug 11, 2023Updated 3 years ago
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 4 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆112Jul 20, 2023Updated 3 years ago
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆361Oct 3, 2023Updated 3 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- ☆16Sep 6, 2022Updated 4 years ago
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- ☆28Jan 11, 2024Updated 2 years ago
- Deep Learning tools For Biology☆10Apr 18, 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.
- Linggle for Alfred workflow☆23Nov 18, 2023Updated 2 years ago
- parKVFinder: thread-level parallel KVFinder☆16May 9, 2025Updated last year
- ☆32Jan 16, 2020Updated 6 years ago
- ☆15Jun 25, 2021Updated 5 years ago
- ☆576Jul 10, 2022Updated 4 years ago
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆330Jun 13, 2025Updated last year
- IUPAC2Struct☆36Jun 24, 2024Updated 2 years ago