☆15Apr 30, 2025Updated 11 months ago
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:
- ☆59Feb 17, 2026Updated last month
- UQ4DD: Uncertainty Quantification for Drug Discovery☆18Aug 4, 2025Updated 8 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆19Dec 22, 2024Updated last year
- ☆45Nov 20, 2025Updated 4 months ago
- ☆17Dec 5, 2024Updated last year
- 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.
- RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion☆22Aug 13, 2024Updated last year
- ☆22Apr 20, 2025Updated 11 months ago
- DrugPipe: Generative artificial intelligence-assisted virtual screening pipeline for generalizable and efficient drug repurposing☆19Jun 9, 2025Updated 10 months ago
- Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…☆30Jun 25, 2024Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 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
- ☆20Aug 5, 2025Updated 8 months 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.
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated 11 months ago
- 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…☆16Mar 18, 2026Updated 3 weeks ago
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- A lightweight script to make vector images of molecules☆20Oct 17, 2025Updated 5 months ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Oct 28, 2023Updated 2 years ago
- DOF 一键端安装脚本☆18Mar 31, 2026Updated 2 weeks ago
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆23Mar 17, 2023Updated 3 years ago
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆21Aug 13, 2024Updated last year
- 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.
- Code for memory-assisted reinforcement learning☆24Oct 19, 2020Updated 5 years ago
- Computational Chemistry☆27Jul 11, 2025Updated 9 months ago
- kMoL is a machine learning library for drug discovery and life sciences, with federated learning capabilities.☆62Feb 25, 2025Updated 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 2 months ago
- ☆42Mar 26, 2025Updated last year
- [CVPR 26] MarkushGrapher-2: End-to-end Multimodal Recognition of Chemical Structures☆48Updated this week
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated last year
- Robochem version 1.0☆17Jun 6, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆17Feb 5, 2024Updated 2 years ago
- predicting AlogP with machine or deep learning☆10Feb 28, 2021Updated 5 years ago
- ☆18Jun 14, 2025Updated 10 months ago
- ☆11Oct 14, 2023Updated 2 years ago
- TrajCast: Force-Free MD Through Autoregressive Equivariant Networks☆60Sep 23, 2025Updated 6 months ago
- MEGADOCK on Google Colaboratory☆20Oct 2, 2023Updated 2 years ago
- ☆41Apr 10, 2025Updated last year