Pinned Repositories
AnimalAI-Olympics
Code repository for the Animal AI Olympics competition
ATM_benchmark
Input files for the protein-ligand benchmark performed with the Alchemical Transfer Method (ATM)
mydpd
ppo_D
This is the official repository for the paper "Guided Exploration with Proximal Policy Optimization using a Single Demonstration", https://arxiv.org/abs/2007.03328
PromptSMILES
Scaffold decoration and fragment linking with chemical language models and RL
pytorch-cifar
pytorchrl
torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
torchmd-exp
Implementation of Differentiable Molecular Simulations with torchMD.
torchrl_examples
Training examples using TorchRL repo
www.compscience.org's Repositories
compsciencelab/PromptSMILES
Scaffold decoration and fragment linking with chemical language models and RL
compsciencelab/ppo_D
This is the official repository for the paper "Guided Exploration with Proximal Policy Optimization using a Single Demonstration", https://arxiv.org/abs/2007.03328
compsciencelab/torchmd-exp
Implementation of Differentiable Molecular Simulations with torchMD.
compsciencelab/torchrl_examples
Training examples using TorchRL repo
compsciencelab/pytorchrl
compsciencelab/ATM_benchmark
Input files for the protein-ligand benchmark performed with the Alchemical Transfer Method (ATM)
compsciencelab/mydpd
compsciencelab/AnimalAI-Olympics
Code repository for the Animal AI Olympics competition
compsciencelab/pytorch-cifar
compsciencelab/protoname
compsciencelab/pytorch-a2c-ppo-acktr-gail
PyTorch implementation of Advantage Actor Critic (A2C), Proximal Policy Optimization (PPO), Scalable trust-region method for deep reinforcement learning using Kronecker-factored approximation (ACKTR) and Generative Adversarial Imitation Learning (GAIL).
compsciencelab/pytorch.github.io
The website for PyTorch
compsciencelab/torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
compsciencelab/trifinger_simulation
Simulation for the TriFinger Robots
compsciencelab/AToM-OpenMM
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
compsciencelab/baselines
OpenAI Baselines: high-quality implementations of reinforcement learning algorithms
compsciencelab/boinc-python
compsciencelab/boinc-python-conda
Conda package for boinc python (unused)
compsciencelab/compscience-org
Website of the lab
compsciencelab/gomd
A simple molecular dynamics Lennard Jones code written in golang
compsciencelab/MDy
compsciencelab/MSI-1
compsciencelab/obstacle-tower-env
Obstacle Tower Environment
compsciencelab/online-dt
Online Decision Transformer
compsciencelab/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.