☆12Jan 25, 2026Updated 2 months ago
Alternatives and similar repositories for 2024-sbdd-benchmark
Users that are interested in 2024-sbdd-benchmark are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Jan 27, 2025Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated last year
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆31Aug 2, 2025Updated 7 months ago
- [NeurIPS 2025] Encoder-Decoder Diffusion Language Models for Efficient Training and Inference☆36Oct 29, 2025Updated 5 months ago
- AI for Chemical Spectra☆16Mar 19, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- [TMLR 2025 & ICLR 2025 DeLTa] Official Implementation of Design Editing for Offline Model-based Optimization 🧬 🤖☆10Apr 17, 2025Updated 11 months ago
- ☆29Oct 29, 2023Updated 2 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆66Jul 2, 2024Updated last year
- Official implementation of NeurIPS'24 Spotlight paper "Monte Carlo Tree Search based Space Transfer for Black-box Optimization".☆13Nov 28, 2024Updated last year
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆44May 10, 2024Updated last year
- [ICLR 2025🔥] D2O: Dynamic Discriminative Operations for Efficient Long-Context Inference of Large Language Models☆27Jul 7, 2025Updated 8 months ago
- ☆30Dec 23, 2025Updated 3 months ago
- Official implementation of SketchMol.☆32Feb 14, 2025Updated last year
- ☆14Nov 2, 2022Updated 3 years ago
- 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.
- Pytorch implementation of "Very Deep Graph Neural Networks via Noise Regularisation"☆10Aug 22, 2021Updated 4 years ago
- A versatile method for systematic identification of differential RNA splicing across platforms☆16Mar 21, 2026Updated last week
- Baselines for Model-Based Optimization installation fixes and compatible with newer AMPERE+ GPUs (e.g. 3090)☆11Apr 30, 2023Updated 2 years ago
- De novo drug design with deep interactome learning☆41Mar 20, 2026Updated last week
- ☆15Aug 4, 2020Updated 5 years ago
- ☆13Dec 28, 2024Updated last year
- Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).☆14Dec 2, 2023Updated 2 years ago
- ☆45Nov 20, 2025Updated 4 months ago
- This repository contains information on the creation, evaluation, and benchmark models for the L+M-24 Dataset. L+M-24 will be featured as…☆30Jan 23, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- This is the repository for the NeurIPS-21 paper [Contrastive Graph Poisson Networks: Semi-Supervised Learning with Extremely Limited Labe…☆12Feb 28, 2023Updated 3 years ago
- A Julia package for consensus-based optimisation☆16Mar 9, 2026Updated 3 weeks ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆41Apr 2, 2025Updated 11 months ago
- Code for the paper "Bounce: Reliable High-Dimensional Bayesian Optimization for Combinatorial and Mixed Spaces"☆15Apr 30, 2024Updated last year
- ☆18Mar 31, 2024Updated last year
- ☆15Aug 13, 2023Updated 2 years ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆10Nov 20, 2025Updated 4 months ago
- Hands-on workshop on NGS data analysis @ NARO☆11Oct 24, 2023Updated 2 years ago
- ☆19Jul 17, 2019Updated 6 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆12Aug 11, 2025Updated 7 months ago
- Code for "A survey and benchmark of high-dimensional Bayesian optimization of discrete sequences"☆16Feb 24, 2025Updated last year
- ☆10May 22, 2024Updated last year
- ☆16May 22, 2025Updated 10 months ago
- ☆18Apr 24, 2024Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆45Aug 2, 2023Updated 2 years ago
- Token-Mol 1.0：tokenized drug design with large language model☆61Dec 9, 2025Updated 3 months ago