coming soon
☆28May 9, 2023Updated 2 years ago
Alternatives and similar repositories for xyztransformer
Users that are interested in xyztransformer 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 "Learning Harmonic Molecular Representations on Riemannian Manifold", ICLR, 2023☆10Mar 23, 2023Updated 3 years ago
- Source code of Venus-MAXWELL: Efficient Learning of Protein-Mutation Stability Landscapes using Protein Language Models☆23Jun 3, 2025Updated 9 months ago
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 6 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆11Sep 8, 2023Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Mar 29, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- The official implementation of the AAAI'24 paper Cross-Gate MLP with Protein Complex Invariant Embedding is A One-Shot Antibody Designer.☆11Dec 28, 2023Updated 2 years ago
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago
- ☆12Mar 21, 2021Updated 5 years ago
- ☆166Mar 14, 2024Updated 2 years ago
- Webpage for the ChemRxiv dashboard☆11Mar 10, 2025Updated last year
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- ☆20Nov 19, 2025Updated 4 months ago
- Graph-based generative model☆26Jan 6, 2026Updated 2 months ago
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆32Apr 26, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This repository contains a reaction condition selector.☆15Mar 19, 2025Updated last year
- ChemBERTa-3 Repo☆47Jan 9, 2026Updated 2 months ago
- LLM for Drug Editing, ICLR 2024☆157May 28, 2024Updated last year
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated last year
- ☆36Sep 18, 2025Updated 6 months ago
- ☆29Jan 16, 2026Updated 2 months ago
- ☆23May 15, 2019Updated 6 years ago
- Scripts for running lsc model on other datasets☆13May 25, 2019Updated 6 years ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 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.
- Spatiotemporal identification of druggable binding sites using deep learning☆22Mar 16, 2021Updated 5 years ago
- Perception and labelling of stereogenic centres in chemical structures☆20Jan 30, 2024Updated 2 years ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆12Nov 22, 2024Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆131Jun 5, 2024Updated last year
- Multiresolution Graph Transformers and Wavelet Positional Encoding for Learning Long-Range and Hierarchical Structures☆23Oct 27, 2023Updated 2 years ago
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆19Sep 4, 2025Updated 6 months ago
- Papers about Structure-based Drug Design (SBDD)☆144Sep 1, 2025Updated 6 months ago
- 3D equivariant graph transformer for all-atom refinement of protein tertiary structures☆28Jun 21, 2023Updated 2 years ago
- Convergent motifs for binding sites☆26Dec 8, 2022Updated 3 years ago
- 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.
- Trained caffe models☆98Sep 18, 2023Updated 2 years ago
- ☆22Jan 25, 2023Updated 3 years ago
- Design of metal-organic frameworks using deep dreaming approaches☆19Dec 2, 2025Updated 3 months ago
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆13Jun 16, 2021Updated 4 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Simple User-Friendly Reaction Format☆18Oct 22, 2024Updated last year
- Origin-1: a generative AI platform for de novo antibody design against novel epitopes☆51Jan 15, 2026Updated 2 months ago