☆15Apr 30, 2025Updated last year
Alternatives and similar repositories for ACARL
Users that are interested in ACARL are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆31May 2, 2026Updated 2 months ago
- ☆76Feb 17, 2026Updated 4 months ago
- UQ4DD: Uncertainty Quantification for Drug Discovery☆18Aug 4, 2025Updated 11 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆20Dec 22, 2024Updated last year
- ☆54Apr 17, 2026Updated 2 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆20Dec 5, 2024Updated last year
- RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion☆22Aug 13, 2024Updated last year
- ☆22Apr 20, 2025Updated last year
- DrugPipe: Generative artificial intelligence-assisted virtual screening pipeline for generalizable and efficient drug repurposing☆19Jun 9, 2025Updated last year
- Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…☆30Jun 25, 2024Updated 2 years ago
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated last year
- ☆17Jan 10, 2024Updated 2 years ago
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 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.
- ☆20Aug 5, 2025Updated 10 months ago
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated last year
- Curated list on Deep Transformers Applications on Biology and Chemistry☆19Apr 8, 2023Updated 3 years ago
- PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Comp…☆17Mar 18, 2026Updated 3 months ago
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- A lightweight script to make vector images of molecules☆20Oct 17, 2025Updated 8 months ago
- PyChem-Pro: a molecular viewer in 2D and 3D, molecular docking pose generator, cheminformatics library, molecular descriptor calculator, …☆194Updated this week
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆49Oct 28, 2023Updated 2 years ago
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆23Mar 17, 2023Updated 3 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.
- DOF 一键端安装脚本☆18May 31, 2026Updated last month
- Code for memory-assisted reinforcement learning☆24Oct 19, 2020Updated 5 years ago
- Computational Chemistry☆27Jul 11, 2025Updated 11 months ago
- 项目修改并二次开源,重构了ui界面，精简和优化若干功能,这是一款专为 Trae IDE 用户打造的多账号高效管理工具。通过查看本工具，您可以轻松管理多个 Trae 账号，一键切换账号，实时使用量，让您的 Trae IDE 使用体验更加便捷!☆120Jun 25, 2026Updated last week
- kMoL is a machine learning library for drug discovery and life sciences, with federated learning capabilities.☆64Feb 25, 2025Updated last year
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆28Aug 13, 2024Updated last year
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- Python toolkit for pre- and post-processing of FMO calculations☆17Jan 24, 2026Updated 5 months ago
- ☆42Mar 26, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- Robochem version 1.0☆18Jun 6, 2024Updated 2 years ago
- ☆18Feb 5, 2024Updated 2 years ago
- predicting AlogP with machine or deep learning☆10Feb 28, 2021Updated 5 years ago
- ☆19Jun 14, 2025Updated last year
- ☆12Oct 14, 2023Updated 2 years ago
- [CVPR 26] MarkushGrapher-2: End-to-end Multimodal Recognition of Chemical Structures☆67May 29, 2026Updated last month