☆13Jan 25, 2026Updated 6 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:
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated 2 years ago
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated 10 months ago
- ☆15Jan 27, 2025Updated last year
- AI for Chemical Spectra☆18Updated this week
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆21May 5, 2025Updated last year
- 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.
- ☆31Oct 29, 2023Updated 2 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆66Jul 2, 2024Updated 2 years ago
- A General Quantum Software☆23Jun 1, 2026Updated last month
- [TMLR 2025 & ICLR 2025 DeLTa] Official Implementation of Design Editing for Offline Model-based Optimization 🧬 🤖☆10Apr 17, 2025Updated last year
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆47May 10, 2024Updated 2 years ago
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆31Aug 2, 2025Updated 11 months ago
- Hands-on workshop on NGS data analysis @ NARO☆11Oct 24, 2023Updated 2 years ago
- De novo drug design with deep interactome learning☆42Mar 20, 2026Updated 4 months ago
- Official implementation of NeurIPS'24 Spotlight paper "Monte Carlo Tree Search based Space Transfer for Black-box Optimization".☆13Nov 28, 2024Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Pytorch implementation of "Very Deep Graph Neural Networks via Noise Regularisation"☆10Aug 22, 2021Updated 4 years ago
- Token-Mol 1.0:tokenized drug design with large language model☆64Jun 1, 2026Updated last month
- ☆15Aug 4, 2020Updated 5 years ago
- A Julia package for consensus-based optimisation☆16Jul 13, 2026Updated 2 weeks ago
- Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).☆14Dec 2, 2023Updated 2 years ago
- ☆14Nov 2, 2022Updated 3 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆43Apr 2, 2025Updated last year
- 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
- 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
- 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.
- ☆15Aug 13, 2023Updated 2 years ago
- ☆13May 18, 2025Updated last year
- Baselines for Model-Based Optimization installation fixes and compatible with newer AMPERE+ GPUs (e.g. 3090)☆11Apr 30, 2023Updated 3 years ago
- ☆12Updated this week
- ☆14Dec 28, 2024Updated last year
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Nov 20, 2025Updated 8 months ago
- Predicting molecular structure from multimodal spectroscopic data☆29Jun 19, 2026Updated last month
- Code with CliqueFlowmer model for Optimal Computational Materials Discovery☆17Apr 21, 2026Updated 3 months ago
- ☆19Mar 31, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- 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
- ☆11May 22, 2024Updated 2 years ago
- Unleashing Reasoning in Medical Large Language Models☆12Mar 19, 2025Updated last year
- Code for "A survey and benchmark of high-dimensional Bayesian optimization of discrete sequences"☆16Feb 24, 2025Updated last year
- Official implementation of SketchMol.☆34Feb 14, 2025Updated last year
- 「機械学習による分子最適化」のサポートページ☆14Jan 31, 2024Updated 2 years ago
- ☆13Mar 28, 2025Updated last year